N-[6-[3-chloro-2-fluoro-6-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

C18H14ClF2N3O2 — CID 155069416

IUPACN-[6-[3-chloro-2-fluoro-6-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1cn2cc(-c3c(CO)ccc(Cl)c3F)ccc2n1)C1CC1F
InChIInChI=1S/C18H14ClF2N3O2/c19-12-3-1-10(8-25)16(17(12)21)9-2-4-15-22-14(7-24(15)6-9)23-18(26)11-5-13(11)20/h1-4,6-7,11,13,25H,5,8H2,(H,23,26)
InChIKeyYBIQUDFIMGAGQC-UHFFFAOYSA-N
MW377.78 g/mol
LogP3.58
Rot. Bonds4

About N-[6-[3-chloro-2-fluoro-6-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

N-[6-[3-chloro-2-fluoro-6-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 155069416) has the molecular formula C18H14ClF2N3O2 and a molecular weight of 377.78 g/mol. Its IUPAC name is N-[6-[3-chloro-2-fluoro-6-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[6-[3-chloro-2-fluoro-6-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID155069416
Molecular FormulaC18H14ClF2N3O2
Molecular Weight377.78 g/mol
Exact Mass377.07
IUPAC NameN-[6-[3-chloro-2-fluoro-6-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1cn2cc(-c3c(CO)ccc(Cl)c3F)ccc2n1)C1CC1F
InChIInChI=1S/C18H14ClF2N3O2/c19-12-3-1-10(8-25)16(17(12)21)9-2-4-15-22-14(7-24(15)6-9)23-18(26)11-5-13(11)20/h1-4,6-7,11,13,25H,5,8H2,(H,23,26)
InChIKeyYBIQUDFIMGAGQC-UHFFFAOYSA-N
XLogP3.58
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.78
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[6-[3-chloro-2-fluoro-6-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-[6-[5-(hydroxymethyl)-1H-indol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686179
cis-(1S,2S)-2-fluoro-N-[6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 155069451
2-fluoro-N-[6-(3-fluoro-2-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686207
N-[6-[3-chloro-6-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 154686220
N-[6-[5-chloro-6-fluoro-7-(fluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164718070
2-fluoro-N-[6-[2-(hydroxymethyl)-3-methylphenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686332
cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-hydroxyethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164520285
3-[2-[(2-fluorocyclopropanecarbonyl)amino]imidazo[1,2-a]pyridin-6-yl]-2,4-dimethylbenzoic acid
CID 155069366
N-[6-(2-acetyl-3-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 154686017
cis-(1S,2S)-N-[6-[5-chloro-7-[ethyl(methyl)amino]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164520275
N-[6-(5-chloro-7-cyclopropyloxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164718124
cis-(1S,2S)-N-[6-(5-chloro-7-cyclopropyloxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164520432

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-chloro-2-fluoro-6-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of N-[6-[3-chloro-2-fluoro-6-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 155069416) is N-[6-[3-chloro-2-fluoro-6-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-[6-[3-chloro-2-fluoro-6-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for N-[6-[3-chloro-2-fluoro-6-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is O=C(Nc1cn2cc(-c3c(CO)ccc(Cl)c3F)ccc2n1)C1CC1F.
What is the InChIKey of N-[6-[3-chloro-2-fluoro-6-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is YBIQUDFIMGAGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3O2/c19-12-3-1-10(8-25)16(17(12)21)9-2-4-15-22-14(7-24(15)6-9)23-18(26)11-5-13(11)20/h1-4,6-7,11,13,25H,5,8H2,(H,23,26).
What are the key properties of N-[6-[3-chloro-2-fluoro-6-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
N-[6-[3-chloro-2-fluoro-6-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 377.78 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-chloro-2-fluoro-6-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 155069416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).