N-benzhydryl-3-(3-fluorophenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanamide

C30H26FN3O — CID 4302468

IUPACN-benzhydryl-3-(3-fluorophenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanamide
SMILESCc1cccc2ncc(C(CC(=O)NC(c3ccccc3)c3ccccc3)c3cccc(F)c3)n12
InChIInChI=1S/C30H26FN3O/c1-21-10-8-17-28-32-20-27(34(21)28)26(24-15-9-16-25(31)18-24)19-29(35)33-30(22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-18,20,26,30H,19H2,1H3,(H,33,35)
InChIKeyRHLNPUNVVOTUOH-UHFFFAOYSA-N
MW463.56 g/mol
LogP6.21
Rot. Bonds7

About N-benzhydryl-3-(3-fluorophenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanamide

N-benzhydryl-3-(3-fluorophenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanamide (PubChem CID 4302468) has the molecular formula C30H26FN3O and a molecular weight of 463.56 g/mol. Its IUPAC name is N-benzhydryl-3-(3-fluorophenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanamide.

Molecular Properties

Compound NameN-benzhydryl-3-(3-fluorophenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanamide
PubChem CID4302468
Molecular FormulaC30H26FN3O
Molecular Weight463.56 g/mol
Exact Mass463.21
IUPAC NameN-benzhydryl-3-(3-fluorophenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanamide
SMILESCc1cccc2ncc(C(CC(=O)NC(c3ccccc3)c3ccccc3)c3cccc(F)c3)n12
InChIInChI=1S/C30H26FN3O/c1-21-10-8-17-28-32-20-27(34(21)28)26(24-15-9-16-25(31)18-24)19-29(35)33-30(22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-18,20,26,30H,19H2,1H3,(H,33,35)
InChIKeyRHLNPUNVVOTUOH-UHFFFAOYSA-N
XLogP6.21
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.56
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-(3-methylphenyl)propanoic acid
CID 42879881
N-ethoxy-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 42782151
N-(2-methoxyethyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 42782144
N-[2-(2,4-dichlorophenyl)ethyl]-3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide
CID 4068487
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 4075487
3-(3-fluorophenyl)-N-(2-methoxyethyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 42784164
ethyl 4-[3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate
CID 42782100
[(3-fluorophenyl)-phenylmethyl]urea
CID 15151796
N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-4-ylbutanamide
CID 119815273
3-(2,5-dimethoxyphenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 42879880
3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-phenyl-N-(1-phenylethyl)propanamide
CID 4684372
[(S)-(3-fluorophenyl)-(4-methylphenyl)methyl]urea
CID 1356900

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-(3-fluorophenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanamide?
The IUPAC name of N-benzhydryl-3-(3-fluorophenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanamide (CID 4302468) is N-benzhydryl-3-(3-fluorophenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanamide.
What is the SMILES notation for N-benzhydryl-3-(3-fluorophenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanamide?
The canonical SMILES for N-benzhydryl-3-(3-fluorophenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanamide is Cc1cccc2ncc(C(CC(=O)NC(c3ccccc3)c3ccccc3)c3cccc(F)c3)n12.
What is the InChIKey of N-benzhydryl-3-(3-fluorophenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanamide?
The InChIKey is RHLNPUNVVOTUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN3O/c1-21-10-8-17-28-32-20-27(34(21)28)26(24-15-9-16-25(31)18-24)19-29(35)33-30(22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-18,20,26,30H,19H2,1H3,(H,33,35).
What are the key properties of N-benzhydryl-3-(3-fluorophenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanamide?
N-benzhydryl-3-(3-fluorophenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanamide has a molecular weight of 463.56 g/mol, XLogP of 6.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-(3-fluorophenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanamide is sourced from PubChem (CID 4302468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).