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

C18H15ClFN3O2 — CID 154686220

IUPACN-[6-[3-chloro-6-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn2cc(-c3c(F)ccc(Cl)c3CO)ccc2n1)C1CC1
InChIInChI=1S/C18H15ClFN3O2/c19-13-4-5-14(20)17(12(13)9-24)11-3-6-16-21-15(8-23(16)7-11)22-18(25)10-1-2-10/h3-8,10,24H,1-2,9H2,(H,22,25)
InChIKeyZSRGJPKDUQAENY-UHFFFAOYSA-N
MW359.79 g/mol
LogP3.63
Rot. Bonds4

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

N-[6-[3-chloro-6-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 154686220) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is N-[6-[3-chloro-6-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[3-chloro-6-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID154686220
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC NameN-[6-[3-chloro-6-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn2cc(-c3c(F)ccc(Cl)c3CO)ccc2n1)C1CC1
InChIInChI=1S/C18H15ClFN3O2/c19-13-4-5-14(20)17(12(13)9-24)11-3-6-16-21-15(8-23(16)7-11)22-18(25)10-1-2-10/h3-8,10,24H,1-2,9H2,(H,22,25)
InChIKeyZSRGJPKDUQAENY-UHFFFAOYSA-N
XLogP3.63
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[2-fluoro-6-(hydroxymethyl)-4-methylphenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 154686347
N-[6-[3-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 154686210
N-[6-(3,4-difluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 155081984
N-[6-[3-chloro-2-fluoro-6-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 155069416
N-[6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 154686082
N-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)cyclopropanecarboxamide
CID 58158532
N-[6-(6-amino-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 155082189
cis-(1S,2S)-2-fluoro-N-[6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 155069451
N-[6-(5-ethenyl-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 164718371
2-fluoro-N-[6-[2-(hydroxymethyl)-3-methylphenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686332
N-[6-(5-cyclopropyl-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 163221292
N-[6-[5-(methylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 164718424

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-chloro-6-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[3-chloro-6-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide (CID 154686220) is N-[6-[3-chloro-6-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[3-chloro-6-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[3-chloro-6-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1cn2cc(-c3c(F)ccc(Cl)c3CO)ccc2n1)C1CC1.
What is the InChIKey of N-[6-[3-chloro-6-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is ZSRGJPKDUQAENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c19-13-4-5-14(20)17(12(13)9-24)11-3-6-16-21-15(8-23(16)7-11)22-18(25)10-1-2-10/h3-8,10,24H,1-2,9H2,(H,22,25).
What are the key properties of N-[6-[3-chloro-6-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[6-[3-chloro-6-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 359.79 g/mol, XLogP of 3.63, 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-6-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 154686220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).