N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide

C21H16ClFN6O — CID 66576685

IUPACN-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESC[C@@H](Cn1ccc(-c2cc(F)c(C#N)c(Cl)c2)n1)NC(=O)c1cn2ccccc2n1
InChIInChI=1S/C21H16ClFN6O/c1-13(25-21(30)19-12-28-6-3-2-4-20(28)26-19)11-29-7-5-18(27-29)14-8-16(22)15(10-24)17(23)9-14/h2-9,12-13H,11H2,1H3,(H,25,30)/t13-/m0/s1
InChIKeyIGRBDIDWWISGRA-ZDUSSCGKSA-N
MW422.85 g/mol
LogP3.68
Rot. Bonds5

About N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide

N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 66576685) has the molecular formula C21H16ClFN6O and a molecular weight of 422.85 g/mol. Its IUPAC name is N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID66576685
Molecular FormulaC21H16ClFN6O
Molecular Weight422.85 g/mol
Exact Mass422.11
IUPAC NameN-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESC[C@@H](Cn1ccc(-c2cc(F)c(C#N)c(Cl)c2)n1)NC(=O)c1cn2ccccc2n1
InChIInChI=1S/C21H16ClFN6O/c1-13(25-21(30)19-12-28-6-3-2-4-20(28)26-19)11-29-7-5-18(27-29)14-8-16(22)15(10-24)17(23)9-14/h2-9,12-13H,11H2,1H3,(H,25,30)/t13-/m0/s1
InChIKeyIGRBDIDWWISGRA-ZDUSSCGKSA-N
XLogP3.68
TPSA88.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.85
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
CID 70657536
N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1-(2-methylprop-1-enyl)pyrazole-3-carboxamide
CID 86714647
N-[1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-5-[(1S)-1-hydroxyethyl]-1H-pyrazole-3-carboxamide
CID 123171666
N-[1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-5-(1-hydroxy-2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 70981335
N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-5-pyridin-3-ylpyridine-2-carboxamide
CID 66576211
N-[1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-5-pyridin-3-ylpyridine-2-carboxamide
CID 77146965
N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 70656159
N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]pyridine-2-carboxamide
CID 70656387
N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2-(2-hydroxypropan-2-yl)-1-methylimidazole-4-carboxamide
CID 66576924
2-bromo-N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-1,3-thiazole-4-carboxamide
CID 70656082
N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-1-(2-cyanoethyl)-2-methylimidazole-4-carboxamide
CID 77147178
2-acetyl-N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxamide
CID 70981260

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (CID 66576685) is N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide is C[C@@H](Cn1ccc(-c2cc(F)c(C#N)c(Cl)c2)n1)NC(=O)c1cn2ccccc2n1.
What is the InChIKey of N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is IGRBDIDWWISGRA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H16ClFN6O/c1-13(25-21(30)19-12-28-6-3-2-4-20(28)26-19)11-29-7-5-18(27-29)14-8-16(22)15(10-24)17(23)9-14/h2-9,12-13H,11H2,1H3,(H,25,30)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 422.85 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 66576685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).