73S

2-azanyl-5-chloranyl-~{N}-[(9~{R})-4-(1~{H}-imidazo[4,5-c]pyridin-2-yl)-9~{H}-fluoren-9-yl]pyrimidine-4-carboxamide

Created:2016-08-19
Last modified:  2017-08-23

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Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count1
Bond Count54
Aromatic Bond Count28
2D diagram of 73S
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Chemical Component Summary

Name2-azanyl-5-chloranyl-~{N}-[(9~{R})-4-(1~{H}-imidazo[4,5-c]pyridin-2-yl)-9~{H}-fluoren-9-yl]pyrimidine-4-carboxamide
Systematic Name (OpenEye OEToolkits)2-azanyl-5-chloranyl-~{N}-[(9~{R})-4-(1~{H}-imidazo[4,5-c]pyridin-2-yl)-9~{H}-fluoren-9-yl]pyrimidine-4-carboxamide
FormulaC24 H16 Cl N7 O
Molecular Weight453.883
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Nc1ncc(Cl)c(n1)C(=O)N[CH]2c3ccccc3c4c2cccc4c5[nH]c6ccncc6n5
SMILESOpenEye OEToolkits2.0.5c1ccc2c(c1)-c3c(cccc3C2NC(=O)c4c(cnc(n4)N)Cl)c5[nH]c6ccncc6n5
Canonical SMILESCACTVS3.385 Nc1ncc(Cl)c(n1)C(=O)N[C@@H]2c3ccccc3c4c2cccc4c5[nH]c6ccncc6n5
Canonical SMILESOpenEye OEToolkits2.0.5 c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4c(cnc(n4)N)Cl)c5[nH]c6ccncc6n5
InChIInChI1.03 InChI=1S/C24H16ClN7O/c25-16-10-28-24(26)32-21(16)23(33)31-20-13-5-2-1-4-12(13)19-14(20)6-3-7-15(19)22-29-17-8-9-27-11-18(17)30-22/h1-11,20H,(H,29,30)(H,31,33)(H2,26,28,32)/t20-/m1/s1
InChIKeyInChI1.03 RCHSWIOHLXMCES-HXUWFJFHSA-N

Related Resource References

Resource NameReference
PubChem 91003323