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

About 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

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 (PubChem CID 126494701) has the molecular formula C28H26FN5O2 and a molecular weight of 483.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name	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
PubChem CID	126494701
Molecular Formula	C28H26FN5O2
Molecular Weight	483.55 g/mol
Exact Mass	483.21
IUPAC Name	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
SMILES	C#Cc1ccc(C)c(Nc2cc3c(ncn3C)c(N(Cc3ccc(OC)cc3)C(=O)[C@H]3C[C@H]3F)n2)c1
InChI	InChI=1S/C28H26FN5O2/c1-5-18-7-6-17(2)23(12-18)31-25-14-24-26(30-16-33(24)3)27(32-25)34(28(35)21-13-22(21)29)15-19-8-10-20(36-4)11-9-19/h1,6-12,14,16,21-22H,13,15H2,2-4H3,(H,31,32)/t21-,22+/m0/s1
InChIKey	UYACSXWVBZBBOX-FCHUYYIVSA-N
XLogP	4.90
TPSA	72.28 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	7
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.55
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C#Cc1ccc(C)c(Nc2cc3c(ncn3C)c(N(Cc3ccc(OC)cc3)C(=O)[C@H]3C[C@H]3F)n2)c1.

What is the InChIKey of 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?

The InChIKey is UYACSXWVBZBBOX-FCHUYYIVSA-N. The full InChI is InChI=1S/C28H26FN5O2/c1-5-18-7-6-17(2)23(12-18)31-25-14-24-26(30-16-33(24)3)27(32-25)34(28(35)21-13-22(21)29)15-19-8-10-20(36-4)11-9-19/h1,6-12,14,16,21-22H,13,15H2,2-4H3,(H,31,32)/t21-,22+/m0/s1.

What are the key properties of 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?

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 has a molecular weight of 483.55 g/mol, XLogP of 4.90, 7 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-(5-ethynyl-2-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluoro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 126494701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).