1-cyano-N-[6-(4-cyano-2-ethyl-6-fluoro-N-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropane-1-carboxamide

C22H20FN7O — CID 126494698

IUPAC1-cyano-N-[6-(4-cyano-2-ethyl-6-fluoro-N-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropane-1-carboxamide
SMILESCCc1cc(C#N)cc(F)c1N(C)c1cc2c(ncn2C)c(NC(=O)C2(C#N)CC2)n1
InChIInChI=1S/C22H20FN7O/c1-4-14-7-13(10-24)8-15(23)19(14)30(3)17-9-16-18(26-12-29(16)2)20(27-17)28-21(31)22(11-25)5-6-22/h7-9,12H,4-6H2,1-3H3,(H,27,28,31)
InChIKeyXUMHLLVKMGRHJS-UHFFFAOYSA-N
MW417.45 g/mol
LogP3.55
Rot. Bonds5

About 1-cyano-N-[6-(4-cyano-2-ethyl-6-fluoro-N-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropane-1-carboxamide

1-cyano-N-[6-(4-cyano-2-ethyl-6-fluoro-N-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropane-1-carboxamide (PubChem CID 126494698) has the molecular formula C22H20FN7O and a molecular weight of 417.45 g/mol. Its IUPAC name is 1-cyano-N-[6-(4-cyano-2-ethyl-6-fluoro-N-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[6-(4-cyano-2-ethyl-6-fluoro-N-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropane-1-carboxamide
PubChem CID126494698
Molecular FormulaC22H20FN7O
Molecular Weight417.45 g/mol
Exact Mass417.17
IUPAC Name1-cyano-N-[6-(4-cyano-2-ethyl-6-fluoro-N-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropane-1-carboxamide
SMILESCCc1cc(C#N)cc(F)c1N(C)c1cc2c(ncn2C)c(NC(=O)C2(C#N)CC2)n1
InChIInChI=1S/C22H20FN7O/c1-4-14-7-13(10-24)8-15(23)19(14)30(3)17-9-16-18(26-12-29(16)2)20(27-17)28-21(31)22(11-25)5-6-22/h7-9,12H,4-6H2,1-3H3,(H,27,28,31)
InChIKeyXUMHLLVKMGRHJS-UHFFFAOYSA-N
XLogP3.55
TPSA110.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[6-(4-cyano-2-ethyl-6-fluoro-N-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of 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) is 1-cyano-N-[6-(4-cyano-2-ethyl-6-fluoro-N-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[6-(4-cyano-2-ethyl-6-fluoro-N-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[6-(4-cyano-2-ethyl-6-fluoro-N-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropane-1-carboxamide is CCc1cc(C#N)cc(F)c1N(C)c1cc2c(ncn2C)c(NC(=O)C2(C#N)CC2)n1.
What is the InChIKey of 1-cyano-N-[6-(4-cyano-2-ethyl-6-fluoro-N-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropane-1-carboxamide?
The InChIKey is XUMHLLVKMGRHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O/c1-4-14-7-13(10-24)8-15(23)19(14)30(3)17-9-16-18(26-12-29(16)2)20(27-17)28-21(31)22(11-25)5-6-22/h7-9,12H,4-6H2,1-3H3,(H,27,28,31).
What are the key properties of 1-cyano-N-[6-(4-cyano-2-ethyl-6-fluoro-N-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropane-1-carboxamide?
1-cyano-N-[6-(4-cyano-2-ethyl-6-fluoro-N-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropane-1-carboxamide has a molecular weight of 417.45 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[6-(4-cyano-2-ethyl-6-fluoro-N-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 126494698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).