3-(3,5-dimethoxyphenyl)-N-(4-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide

C32H31N3O4 — CID 5216373

IUPAC3-(3,5-dimethoxyphenyl)-N-(4-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
SMILESCOc1cc(OC)cc(C(CC(=O)Nc2ccc(C)cc2)c2cnc3c(OCc4ccccc4)cccn23)c1
InChIInChI=1S/C32H31N3O4/c1-22-11-13-25(14-12-22)34-31(36)19-28(24-16-26(37-2)18-27(17-24)38-3)29-20-33-32-30(10-7-15-35(29)32)39-21-23-8-5-4-6-9-23/h4-18,20,28H,19,21H2,1-3H3,(H,34,36)
InChIKeyTYNMLPJMGXHUGH-UHFFFAOYSA-N
MW521.62 g/mol
LogP6.40
Rot. Bonds10

About 3-(3,5-dimethoxyphenyl)-N-(4-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide

3-(3,5-dimethoxyphenyl)-N-(4-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide (PubChem CID 5216373) has the molecular formula C32H31N3O4 and a molecular weight of 521.62 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-N-(4-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-N-(4-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
PubChem CID5216373
Molecular FormulaC32H31N3O4
Molecular Weight521.62 g/mol
Exact Mass521.23
IUPAC Name3-(3,5-dimethoxyphenyl)-N-(4-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
SMILESCOc1cc(OC)cc(C(CC(=O)Nc2ccc(C)cc2)c2cnc3c(OCc4ccccc4)cccn23)c1
InChIInChI=1S/C32H31N3O4/c1-22-11-13-25(14-12-22)34-31(36)19-28(24-16-26(37-2)18-27(17-24)38-3)29-20-33-32-30(10-7-15-35(29)32)39-21-23-8-5-4-6-9-23/h4-18,20,28H,19,21H2,1-3H3,(H,34,36)
InChIKeyTYNMLPJMGXHUGH-UHFFFAOYSA-N
XLogP6.40
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.62
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,5-dimethoxyphenyl)-N-(4-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 4052079
3-(3,5-dimethoxyphenyl)-N-(2-phenylethyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 3570484
3-(3,5-dimethoxyphenyl)-N-hexyl-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 3665519
3-(3,5-dimethoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-phenylethyl)propanamide
CID 3274664
3-(3,5-dimethoxyphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 4522920
3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(4-methylphenyl)propanamide
CID 42774691
N-butyl-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 4524635
N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 5149763
(3S)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-phenylethyl)propanamide
CID 7115600
N-butyl-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 4647962
N-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 4156495
N-(furan-2-ylmethyl)-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 42784079

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-N-(4-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-N-(4-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide (CID 5216373) is 3-(3,5-dimethoxyphenyl)-N-(4-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-N-(4-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-N-(4-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide is COc1cc(OC)cc(C(CC(=O)Nc2ccc(C)cc2)c2cnc3c(OCc4ccccc4)cccn23)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-N-(4-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide?
The InChIKey is TYNMLPJMGXHUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3O4/c1-22-11-13-25(14-12-22)34-31(36)19-28(24-16-26(37-2)18-27(17-24)38-3)29-20-33-32-30(10-7-15-35(29)32)39-21-23-8-5-4-6-9-23/h4-18,20,28H,19,21H2,1-3H3,(H,34,36).
What are the key properties of 3-(3,5-dimethoxyphenyl)-N-(4-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide?
3-(3,5-dimethoxyphenyl)-N-(4-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide has a molecular weight of 521.62 g/mol, XLogP of 6.40, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-N-(4-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide is sourced from PubChem (CID 5216373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).