2-phenyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide

C21H21N5O — CID 97198705

IUPAC2-phenyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESC[C@@H](CCn1cccn1)NC(=O)c1ccc2nc(-c3ccccc3)cn2c1
InChIInChI=1S/C21H21N5O/c1-16(10-13-26-12-5-11-22-26)23-21(27)18-8-9-20-24-19(15-25(20)14-18)17-6-3-2-4-7-17/h2-9,11-12,14-16H,10,13H2,1H3,(H,23,27)/t16-/m0/s1
InChIKeyNPWIWWNMSZXVRL-INIZCTEOSA-N
MW359.43 g/mol
LogP3.41
Rot. Bonds6

About 2-phenyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide

2-phenyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 97198705) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-phenyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID97198705
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name2-phenyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESC[C@@H](CCn1cccn1)NC(=O)c1ccc2nc(-c3ccccc3)cn2c1
InChIInChI=1S/C21H21N5O/c1-16(10-13-26-12-5-11-22-26)23-21(27)18-8-9-20-24-19(15-25(20)14-18)17-6-3-2-4-7-17/h2-9,11-12,14-16H,10,13H2,1H3,(H,23,27)/t16-/m0/s1
InChIKeyNPWIWWNMSZXVRL-INIZCTEOSA-N
XLogP3.41
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 97196202
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CID 97207911
N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 96571883
2-phenyl-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 72935701
(2-phenylimidazo[1,2-a]pyridin-6-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 96578369
2-(4-fluorophenyl)-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 97192955
(2R)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-pyrazol-1-ylbutan-2-amine
CID 99705994
N-[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 96579471
N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 70786143
3-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]butanoic acid
CID 119220723
N-(5-methylhexan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
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N-(1,1-diphenylpropan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 46432019

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 2-phenyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide (CID 97198705) is 2-phenyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-phenyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 2-phenyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide is C[C@@H](CCn1cccn1)NC(=O)c1ccc2nc(-c3ccccc3)cn2c1.
What is the InChIKey of 2-phenyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is NPWIWWNMSZXVRL-INIZCTEOSA-N. The full InChI is InChI=1S/C21H21N5O/c1-16(10-13-26-12-5-11-22-26)23-21(27)18-8-9-20-24-19(15-25(20)14-18)17-6-3-2-4-7-17/h2-9,11-12,14-16H,10,13H2,1H3,(H,23,27)/t16-/m0/s1.
What are the key properties of 2-phenyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide?
2-phenyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 97198705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).