A1CKP

(7P,8S)-7-{(5M)-5-[1-(oxan-4-yl)-1H-1,2,3-triazol-4-yl]-4-[(propan-2-yl)amino]pyridin-2-yl}pyrrolo[1,2-b]pyridazine-3-carbonitrile

Created:2025-07-28
Last modified:  2026-01-28

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Chemical Details

Formal Charge0
Atom Count56
Chiral Atom Count0
Bond Count60
Aromatic Bond Count21
2D diagram of A1CKP
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Chemical Component Summary

Name(7P,8S)-7-{(5M)-5-[1-(oxan-4-yl)-1H-1,2,3-triazol-4-yl]-4-[(propan-2-yl)amino]pyridin-2-yl}pyrrolo[1,2-b]pyridazine-3-carbonitrile
Systematic Name (OpenEye OEToolkits)7-[5-[1-(oxan-4-yl)-1,2,3-triazol-4-yl]-4-(propan-2-ylamino)pyridin-2-yl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
FormulaC23 H24 N8 O
Molecular Weight428.49
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52CC(C)Nc1cc(ncc1c1nnn(c1)C1CCOCC1)c1ccc2cc(C#N)cnn21
SMILESCACTVS3.385CC(C)Nc1cc(ncc1c2cn(nn2)C3CCOCC3)c4ccc5cc(cnn45)C#N
SMILESOpenEye OEToolkits3.1.0.0CC(C)Nc1cc(ncc1c2cn(nn2)C3CCOCC3)c4ccc5n4ncc(c5)C#N
Canonical SMILESCACTVS3.385 CC(C)Nc1cc(ncc1c2cn(nn2)C3CCOCC3)c4ccc5cc(cnn45)C#N
Canonical SMILESOpenEye OEToolkits3.1.0.0 CC(C)Nc1cc(ncc1c2cn(nn2)C3CCOCC3)c4ccc5n4ncc(c5)C#N
InChIInChI1.06 InChI=1S/C23H24N8O/c1-15(2)27-20-10-21(23-4-3-18-9-16(11-24)12-26-31(18)23)25-13-19(20)22-14-30(29-28-22)17-5-7-32-8-6-17/h3-4,9-10,12-15,17H,5-8H2,1-2H3,(H,25,27)
InChIKeyInChI1.06 RHQVHRVEDCPJPR-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 146345344