N-[6-[(3-ethyl-2-fluoro-4-pyridinyl)-methylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide

C19H20F2N6O — CID 145234589

IUPACN-[6-[(3-ethyl-2-fluoro-4-pyridinyl)-methylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCCc1c(N(C)c2cc3c(ncn3C)c(NC(=O)C3CC3F)n2)ccnc1F
InChIInChI=1S/C19H20F2N6O/c1-4-10-13(5-6-22-17(10)21)27(3)15-8-14-16(23-9-26(14)2)18(24-15)25-19(28)11-7-12(11)20/h5-6,8-9,11-12H,4,7H2,1-3H3,(H,24,25,28)
InChIKeyXFFROIIYMGSXOS-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.13
Rot. Bonds5

About N-[6-[(3-ethyl-2-fluoro-4-pyridinyl)-methylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide

N-[6-[(3-ethyl-2-fluoro-4-pyridinyl)-methylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 145234589) has the molecular formula C19H20F2N6O and a molecular weight of 386.41 g/mol. Its IUPAC name is N-[6-[(3-ethyl-2-fluoro-4-pyridinyl)-methylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[6-[(3-ethyl-2-fluoro-4-pyridinyl)-methylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID145234589
Molecular FormulaC19H20F2N6O
Molecular Weight386.41 g/mol
Exact Mass386.17
IUPAC NameN-[6-[(3-ethyl-2-fluoro-4-pyridinyl)-methylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCCc1c(N(C)c2cc3c(ncn3C)c(NC(=O)C3CC3F)n2)ccnc1F
InChIInChI=1S/C19H20F2N6O/c1-4-10-13(5-6-22-17(10)21)27(3)15-8-14-16(23-9-26(14)2)18(24-15)25-19(28)11-7-12(11)20/h5-6,8-9,11-12H,4,7H2,1-3H3,(H,24,25,28)
InChIKeyXFFROIIYMGSXOS-UHFFFAOYSA-N
XLogP3.13
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,2R)-N-[6-(4-cyano-N,2-dimethylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 126494518
N-[6-[(2,6-difluoro-3-pyridinyl)-methylamino]-1-methylbenzimidazol-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 123394929
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
N-[6-(2-ethyl-4-fluoroanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
CID 126494685
N-[6-[4-[[difluoromethylsulfonyl(methyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
CID 154504824
N-[6-[(6-cyano-4-methyl-3-pyridinyl)-methylamino]-1-methylbenzimidazol-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 118235331
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-ethyl-N-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluoro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide;ethane
CID 145234491
cis-(1R,2R)-N-[6-(2-chloro-6-fluoro-4-isocyano-N-methylanilino)-1-methylbenzimidazol-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 123171462
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
(2R)-N-[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-1-methylbenzimidazol-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 135293094
cis-(1R,2R)-N-[2-(2-ethoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 163252239

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3-ethyl-2-fluoro-4-pyridinyl)-methylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of N-[6-[(3-ethyl-2-fluoro-4-pyridinyl)-methylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide (CID 145234589) is N-[6-[(3-ethyl-2-fluoro-4-pyridinyl)-methylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-[6-[(3-ethyl-2-fluoro-4-pyridinyl)-methylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for N-[6-[(3-ethyl-2-fluoro-4-pyridinyl)-methylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide is CCc1c(N(C)c2cc3c(ncn3C)c(NC(=O)C3CC3F)n2)ccnc1F.
What is the InChIKey of N-[6-[(3-ethyl-2-fluoro-4-pyridinyl)-methylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is XFFROIIYMGSXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6O/c1-4-10-13(5-6-22-17(10)21)27(3)15-8-14-16(23-9-26(14)2)18(24-15)25-19(28)11-7-12(11)20/h5-6,8-9,11-12H,4,7H2,1-3H3,(H,24,25,28).
What are the key properties of N-[6-[(3-ethyl-2-fluoro-4-pyridinyl)-methylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide?
N-[6-[(3-ethyl-2-fluoro-4-pyridinyl)-methylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 386.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3-ethyl-2-fluoro-4-pyridinyl)-methylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 145234589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).