cis-(1R,2R)-N-[6-(5-cyano-2-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluoro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide;ethane;molecular hydrogen

C29H33FN6O2 — CID 145234568

IUPACcis-(1R,2R)-N-[6-(5-cyano-2-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluoro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide;ethane;molecular hydrogen
SMILESCC.COc1ccc(CN(C(=O)[C@H]2C[C@H]2F)c2nc(Nc3cc(C#N)ccc3C)cc3c2ncn3C)cc1.[H][H]
InChIInChI=1S/C27H25FN6O2.C2H6.H2/c1-16-4-5-18(13-29)10-22(16)31-24-12-23-25(30-15-33(23)2)26(32-24)34(27(35)20-11-21(20)28)14-17-6-8-19(36-3)9-7-17;1-2;/h4-10,12,15,20-21H,11,14H2,1-3H3,(H,31,32);1-2H3;1H/t20-,21+;;/m0../s1
InChIKeyGFNRRIIOVPPPMX-DDZPGPNZSA-N
MW516.62 g/mol
LogP6.06
Rot. Bonds7

About cis-(1R,2R)-N-[6-(5-cyano-2-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluoro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide;ethane;molecular hydrogen

cis-(1R,2R)-N-[6-(5-cyano-2-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluoro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide;ethane;molecular hydrogen (PubChem CID 145234568) has the molecular formula C29H33FN6O2 and a molecular weight of 516.62 g/mol. Its IUPAC name is cis-(1R,2R)-N-[6-(5-cyano-2-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluoro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide;ethane;molecular hydrogen.

Molecular Properties

Compound Namecis-(1R,2R)-N-[6-(5-cyano-2-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluoro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide;ethane;molecular hydrogen
PubChem CID145234568
Molecular FormulaC29H33FN6O2
Molecular Weight516.62 g/mol
Exact Mass516.26
IUPAC Namecis-(1R,2R)-N-[6-(5-cyano-2-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluoro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide;ethane;molecular hydrogen
SMILESCC.COc1ccc(CN(C(=O)[C@H]2C[C@H]2F)c2nc(Nc3cc(C#N)ccc3C)cc3c2ncn3C)cc1.[H][H]
InChIInChI=1S/C27H25FN6O2.C2H6.H2/c1-16-4-5-18(13-29)10-22(16)31-24-12-23-25(30-15-33(23)2)26(32-24)34(27(35)20-11-21(20)28)14-17-6-8-19(36-3)9-7-17;1-2;/h4-10,12,15,20-21H,11,14H2,1-3H3,(H,31,32);1-2H3;1H/t20-,21+;;/m0../s1
InChIKeyGFNRRIIOVPPPMX-DDZPGPNZSA-N
XLogP6.06
TPSA96.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.62
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze cis-(1R,2R)-N-[6-(5-cyano-2-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluoro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide;ethane;molecular hydrogen with MolForge

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Related Compounds

cis-(1R,2R)-N-[6-(5-ethynyl-2-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluoro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 126494701
cis-(1R,2R)-N-[6-(5-cyano-N,2-dimethylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluoro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide;ethane
CID 145234584
cis-(1R,2R)-N-[6-(5-cyano-2-ethyl-N-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluoro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide;ethane
CID 145234491
5-[[4-[bis[(4-methoxyphenyl)methyl]amino]-1-methylimidazo[4,5-c]pyridin-6-yl]amino]-6-chloro-4-ethylpyridine-2-carbonitrile
CID 126485236
cis-(1R,2R)-N-[6-(4-cyano-N,2-dimethylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 126494518
2-(5-methoxy-2-methylanilino)pyridine-4-carbonitrile
CID 114252744
N-[6-[(6-cyano-4-methyl-3-pyridinyl)-methylamino]-1-methylbenzimidazol-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 118235331
4-[(4-amino-1-methylimidazo[4,5-c]pyridin-6-yl)amino]-3-ethylbenzonitrile
CID 145234585
(2R)-N-[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-1-methylbenzimidazol-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 135293094
N-(6-chloro-1-methylimidazo[4,5-c]pyridin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 126494683
3-[(4-methoxyphenyl)methylamino]-4-methylbenzonitrile
CID 62103150
5-[[4-[bis[(4-methoxyphenyl)methyl]amino]-1-methylimidazo[4,5-c]pyridin-6-yl]-methylamino]-6-chloro-4-ethylpyridine-2-carbonitrile
CID 126485285

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N-[6-(5-cyano-2-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluoro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide;ethane;molecular hydrogen?
The IUPAC name of cis-(1R,2R)-N-[6-(5-cyano-2-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluoro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide;ethane;molecular hydrogen (CID 145234568) is cis-(1R,2R)-N-[6-(5-cyano-2-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluoro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide;ethane;molecular hydrogen.
What is the SMILES notation for cis-(1R,2R)-N-[6-(5-cyano-2-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluoro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide;ethane;molecular hydrogen?
The canonical SMILES for cis-(1R,2R)-N-[6-(5-cyano-2-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluoro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide;ethane;molecular hydrogen is CC.COc1ccc(CN(C(=O)[C@H]2C[C@H]2F)c2nc(Nc3cc(C#N)ccc3C)cc3c2ncn3C)cc1.[H][H].
What is the InChIKey of cis-(1R,2R)-N-[6-(5-cyano-2-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluoro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide;ethane;molecular hydrogen?
The InChIKey is GFNRRIIOVPPPMX-DDZPGPNZSA-N. The full InChI is InChI=1S/C27H25FN6O2.C2H6.H2/c1-16-4-5-18(13-29)10-22(16)31-24-12-23-25(30-15-33(23)2)26(32-24)34(27(35)20-11-21(20)28)14-17-6-8-19(36-3)9-7-17;1-2;/h4-10,12,15,20-21H,11,14H2,1-3H3,(H,31,32);1-2H3;1H/t20-,21+;;/m0../s1.
What are the key properties of cis-(1R,2R)-N-[6-(5-cyano-2-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluoro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide;ethane;molecular hydrogen?
cis-(1R,2R)-N-[6-(5-cyano-2-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluoro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide;ethane;molecular hydrogen has a molecular weight of 516.62 g/mol, XLogP of 6.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-N-[6-(5-cyano-2-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluoro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide;ethane;molecular hydrogen is sourced from PubChem (CID 145234568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).