cis-(1S,2S)-N-[6-(2,3-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

C19H18FN3O — CID 155069438

IUPACcis-(1S,2S)-N-[6-(2,3-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCc1cccc(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3c2)c1C
InChIInChI=1S/C19H18FN3O/c1-11-4-3-5-14(12(11)2)13-6-7-18-21-17(10-23(18)9-13)22-19(24)15-8-16(15)20/h3-7,9-10,15-16H,8H2,1-2H3,(H,22,24)/t15-,16+/m1/s1
InChIKeyYGQXARCBMSUGQI-CVEARBPZSA-N
MW323.37 g/mol
LogP3.91
Rot. Bonds3

About cis-(1S,2S)-N-[6-(2,3-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-[6-(2,3-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 155069438) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is cis-(1S,2S)-N-[6-(2,3-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[6-(2,3-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID155069438
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Namecis-(1S,2S)-N-[6-(2,3-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCc1cccc(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3c2)c1C
InChIInChI=1S/C19H18FN3O/c1-11-4-3-5-14(12(11)2)13-6-7-18-21-17(10-23(18)9-13)22-19(24)15-8-16(15)20/h3-7,9-10,15-16H,8H2,1-2H3,(H,22,24)/t15-,16+/m1/s1
InChIKeyYGQXARCBMSUGQI-CVEARBPZSA-N
XLogP3.91
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2S)-2-fluoro-N-[6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 155081931
2-fluoro-N-[6-[2-(hydroxymethyl)-3-methylphenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686332
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-(2-acetyl-3-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 154686017
2-fluoro-N-[6-(5-hydroxy-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686201
2-fluoro-N-[6-(5-fluoro-4-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686390
cis-(1S,2S)-2-fluoro-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 155081988
cis-(1S,2S)-N-[6-[2-(acetamidomethyl)-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 154686129
3-[2-[(2-fluorocyclopropanecarbonyl)amino]imidazo[1,2-a]pyridin-6-yl]-2,4-dimethylbenzoic acid
CID 155069366
N-[6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 154686082
cis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1H-indol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 155069370

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[6-(2,3-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[6-(2,3-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 155069438) is cis-(1S,2S)-N-[6-(2,3-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-[6-(2,3-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[6-(2,3-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is Cc1cccc(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3c2)c1C.
What is the InChIKey of cis-(1S,2S)-N-[6-(2,3-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is YGQXARCBMSUGQI-CVEARBPZSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-11-4-3-5-14(12(11)2)13-6-7-18-21-17(10-23(18)9-13)22-19(24)15-8-16(15)20/h3-7,9-10,15-16H,8H2,1-2H3,(H,22,24)/t15-,16+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[6-(2,3-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[6-(2,3-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[6-(2,3-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 155069438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).