cis-(1R,2R)-N-[6-(4-cyano-N,2-dimethylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide

C20H19FN6O — CID 126494518

IUPACcis-(1R,2R)-N-[6-(4-cyano-N,2-dimethylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCc1cc(C#N)ccc1N(C)c1cc2c(ncn2C)c(NC(=O)[C@H]2C[C@H]2F)n1
InChIInChI=1S/C20H19FN6O/c1-11-6-12(9-22)4-5-15(11)27(3)17-8-16-18(23-10-26(16)2)19(24-17)25-20(28)13-7-14(13)21/h4-6,8,10,13-14H,7H2,1-3H3,(H,24,25,28)/t13-,14+/m0/s1
InChIKeyJEFPOZGPNBPFHL-UONOGXRCSA-N
MW378.41 g/mol
LogP3.21
Rot. Bonds4

About cis-(1R,2R)-N-[6-(4-cyano-N,2-dimethylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1R,2R)-N-[6-(4-cyano-N,2-dimethylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 126494518) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is cis-(1R,2R)-N-[6-(4-cyano-N,2-dimethylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-N-[6-(4-cyano-N,2-dimethylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID126494518
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Namecis-(1R,2R)-N-[6-(4-cyano-N,2-dimethylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCc1cc(C#N)ccc1N(C)c1cc2c(ncn2C)c(NC(=O)[C@H]2C[C@H]2F)n1
InChIInChI=1S/C20H19FN6O/c1-11-6-12(9-22)4-5-15(11)27(3)17-8-16-18(23-10-26(16)2)19(24-17)25-20(28)13-7-14(13)21/h4-6,8,10,13-14H,7H2,1-3H3,(H,24,25,28)/t13-,14+/m0/s1
InChIKeyJEFPOZGPNBPFHL-UONOGXRCSA-N
XLogP3.21
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze cis-(1R,2R)-N-[6-(4-cyano-N,2-dimethylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[6-[(3-ethyl-2-fluoro-4-pyridinyl)-methylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 145234589
cis-(1R,2R)-N-[6-[(6-cyano-4-ethyl-3-pyridinyl)-prop-2-enylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 126494871
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
N-[6-[(6-cyano-4-methyl-3-pyridinyl)-methylamino]-1-methylbenzimidazol-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 118235331
N-[6-[(2,6-difluoro-3-pyridinyl)-methylamino]-1-methylbenzimidazol-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 123394929
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
(2R)-N-[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-1-methylbenzimidazol-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 135293094
1-cyano-N-[6-(4-cyano-2-ethyl-6-fluoro-N-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropane-1-carboxamide
CID 126494698
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
cis-(1S,2S)-N-[6-(5-cyano-2-methylphenyl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 138504677
4-[(7-amino-3-methylbenzimidazol-5-yl)-methylamino]-3-fluorobenzonitrile
CID 118246150
N-[6-[4-[[difluoromethylsulfonyl(methyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
CID 154504824

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N-[6-(4-cyano-N,2-dimethylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-N-[6-(4-cyano-N,2-dimethylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide (CID 126494518) is cis-(1R,2R)-N-[6-(4-cyano-N,2-dimethylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-N-[6-(4-cyano-N,2-dimethylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-N-[6-(4-cyano-N,2-dimethylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide is Cc1cc(C#N)ccc1N(C)c1cc2c(ncn2C)c(NC(=O)[C@H]2C[C@H]2F)n1.
What is the InChIKey of cis-(1R,2R)-N-[6-(4-cyano-N,2-dimethylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is JEFPOZGPNBPFHL-UONOGXRCSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-11-6-12(9-22)4-5-15(11)27(3)17-8-16-18(23-10-26(16)2)19(24-17)25-20(28)13-7-14(13)21/h4-6,8,10,13-14H,7H2,1-3H3,(H,24,25,28)/t13-,14+/m0/s1.
What are the key properties of cis-(1R,2R)-N-[6-(4-cyano-N,2-dimethylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1R,2R)-N-[6-(4-cyano-N,2-dimethylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-N-[6-(4-cyano-N,2-dimethylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 126494518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).