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

C20H18F2N4O2 — CID 154686129

IUPACcis-(1S,2S)-N-[6-[2-(acetamidomethyl)-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCC(=O)NCc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1
InChIInChI=1S/C20H18F2N4O2/c1-11(27)23-8-15-13(3-2-4-16(15)21)12-5-6-19-24-18(10-26(19)9-12)25-20(28)14-7-17(14)22/h2-6,9-10,14,17H,7-8H2,1H3,(H,23,27)(H,25,28)/t14-,17+/m1/s1
InChIKeyDAZGZGHPMMXEDD-PBHICJAKSA-N
MW384.39 g/mol
LogP3.07
Rot. Bonds5

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

cis-(1S,2S)-N-[6-[2-(acetamidomethyl)-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 154686129) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is cis-(1S,2S)-N-[6-[2-(acetamidomethyl)-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[6-[2-(acetamidomethyl)-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID154686129
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Namecis-(1S,2S)-N-[6-[2-(acetamidomethyl)-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCC(=O)NCc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1
InChIInChI=1S/C20H18F2N4O2/c1-11(27)23-8-15-13(3-2-4-16(15)21)12-5-6-19-24-18(10-26(19)9-12)25-20(28)14-7-17(14)22/h2-6,9-10,14,17H,7-8H2,1H3,(H,23,27)(H,25,28)/t14-,17+/m1/s1
InChIKeyDAZGZGHPMMXEDD-PBHICJAKSA-N
XLogP3.07
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2-acetyl-3-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 154686017
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-(3-fluoro-2-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686207
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-(2,3-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 155069438
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-[3-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 154686210
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
N-[6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 154686082
2-fluoro-N-[6-(5-hydroxy-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686201
2-fluoro-N-[7-fluoro-6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686126

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[6-[2-(acetamidomethyl)-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[6-[2-(acetamidomethyl)-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 154686129) is cis-(1S,2S)-N-[6-[2-(acetamidomethyl)-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-[6-[2-(acetamidomethyl)-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[6-[2-(acetamidomethyl)-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is CC(=O)NCc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1.
What is the InChIKey of cis-(1S,2S)-N-[6-[2-(acetamidomethyl)-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is DAZGZGHPMMXEDD-PBHICJAKSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c1-11(27)23-8-15-13(3-2-4-16(15)21)12-5-6-19-24-18(10-26(19)9-12)25-20(28)14-7-17(14)22/h2-6,9-10,14,17H,7-8H2,1H3,(H,23,27)(H,25,28)/t14-,17+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[6-[2-(acetamidomethyl)-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[6-[2-(acetamidomethyl)-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 384.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[6-[2-(acetamidomethyl)-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 154686129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).