cis-(1S,2R)-2-(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)cyclopropane-1-carboxamide

C19H18FN3O — CID 31008529

IUPACcis-(1S,2R)-2-(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)cyclopropane-1-carboxamide
SMILESO=C(NCCc1cn2ccccc2n1)[C@H]1C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O/c20-14-6-4-13(5-7-14)16-11-17(16)19(24)21-9-8-15-12-23-10-2-1-3-18(23)22-15/h1-7,10,12,16-17H,8-9,11H2,(H,21,24)/t16-,17-/m0/s1
InChIKeyZLFRVAYAWBORAS-IRXDYDNUSA-N
MW323.37 g/mol
LogP2.94
Rot. Bonds5

About cis-(1S,2R)-2-(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)cyclopropane-1-carboxamide

cis-(1S,2R)-2-(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)cyclopropane-1-carboxamide (PubChem CID 31008529) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is cis-(1S,2R)-2-(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)cyclopropane-1-carboxamide
PubChem CID31008529
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Namecis-(1S,2R)-2-(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)cyclopropane-1-carboxamide
SMILESO=C(NCCc1cn2ccccc2n1)[C@H]1C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O/c20-14-6-4-13(5-7-14)16-11-17(16)19(24)21-9-8-15-12-23-10-2-1-3-18(23)22-15/h1-7,10,12,16-17H,8-9,11H2,(H,21,24)/t16-,17-/m0/s1
InChIKeyZLFRVAYAWBORAS-IRXDYDNUSA-N
XLogP2.94
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25429046
trans-methyl (1S,2S)-2-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylate
CID 97340572
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 122567936
(2R)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125444630
2-(4-fluorophenyl)-N-(2-naphthalen-2-ylethyl)cyclopropane-1-carboxamide
CID 78866705
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)morpholine-2-carboxamide;dihydrochloride
CID 119840691
1-[(4-fluorophenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine
CID 111232571
formic acid;N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,1-dioxothiolane-3-carboxamide
CID 154904325
4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 759208
5-fluoro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methoxybenzamide
CID 32837177
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 131947453
(3S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 25279424

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)cyclopropane-1-carboxamide (CID 31008529) is cis-(1S,2R)-2-(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)cyclopropane-1-carboxamide is O=C(NCCc1cn2ccccc2n1)[C@H]1C[C@H]1c1ccc(F)cc1.
What is the InChIKey of cis-(1S,2R)-2-(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)cyclopropane-1-carboxamide?
The InChIKey is ZLFRVAYAWBORAS-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H18FN3O/c20-14-6-4-13(5-7-14)16-11-17(16)19(24)21-9-8-15-12-23-10-2-1-3-18(23)22-15/h1-7,10,12,16-17H,8-9,11H2,(H,21,24)/t16-,17-/m0/s1.
What are the key properties of cis-(1S,2R)-2-(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)cyclopropane-1-carboxamide?
cis-(1S,2R)-2-(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)cyclopropane-1-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 31008529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).