N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide

C27H25N5O2 — CID 55540978

IUPACN-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
SMILESCc1cccn2c(NC(=O)CCC(=O)N3CCC(c4ccccc4)=N3)c(-c3ccccc3)nc12
InChIInChI=1S/C27H25N5O2/c1-19-9-8-17-31-26(19)29-25(21-12-6-3-7-13-21)27(31)28-23(33)14-15-24(34)32-18-16-22(30-32)20-10-4-2-5-11-20/h2-13,17H,14-16,18H2,1H3,(H,28,33)
InChIKeyINRVJKKFEKGUGQ-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.67
Rot. Bonds6

About N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide

N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide (PubChem CID 55540978) has the molecular formula C27H25N5O2 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
PubChem CID55540978
Molecular FormulaC27H25N5O2
Molecular Weight451.53 g/mol
Exact Mass451.20
IUPAC NameN-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
SMILESCc1cccn2c(NC(=O)CCC(=O)N3CCC(c4ccccc4)=N3)c(-c3ccccc3)nc12
InChIInChI=1S/C27H25N5O2/c1-19-9-8-17-31-26(19)29-25(21-12-6-3-7-13-21)27(31)28-23(33)14-15-24(34)32-18-16-22(30-32)20-10-4-2-5-11-20/h2-13,17H,14-16,18H2,1H3,(H,28,33)
InChIKeyINRVJKKFEKGUGQ-UHFFFAOYSA-N
XLogP4.67
TPSA79.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopentyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 16559332
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N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-[(2R)-oxolan-2-yl]propanamide
CID 94092022
N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112844900
4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(2-propoxyphenyl)butanamide
CID 30236494
N-(2-chloro-4-methylphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 25481606
ethyl (3S)-3-[(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]piperidine-1-carboxylate
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N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
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2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 92738385
N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
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2-(2-fluorophenoxy)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 40656268
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Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
The IUPAC name of N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide (CID 55540978) is N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide.
What is the SMILES notation for N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
The canonical SMILES for N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide is Cc1cccn2c(NC(=O)CCC(=O)N3CCC(c4ccccc4)=N3)c(-c3ccccc3)nc12.
What is the InChIKey of N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
The InChIKey is INRVJKKFEKGUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2/c1-19-9-8-17-31-26(19)29-25(21-12-6-3-7-13-21)27(31)28-23(33)14-15-24(34)32-18-16-22(30-32)20-10-4-2-5-11-20/h2-13,17H,14-16,18H2,1H3,(H,28,33).
What are the key properties of N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide has a molecular weight of 451.53 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide is sourced from PubChem (CID 55540978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).