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

C31H28FN3O4 — CID 4052079

IUPAC3-(3,5-dimethoxyphenyl)-N-(4-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
SMILESCOc1cc(OC)cc(C(CC(=O)Nc2ccc(F)cc2)c2cnc3c(OCc4ccccc4)cccn23)c1
InChIInChI=1S/C31H28FN3O4/c1-37-25-15-22(16-26(17-25)38-2)27(18-30(36)34-24-12-10-23(32)11-13-24)28-19-33-31-29(9-6-14-35(28)31)39-20-21-7-4-3-5-8-21/h3-17,19,27H,18,20H2,1-2H3,(H,34,36)
InChIKeyGQTHSHYTYYHLJW-UHFFFAOYSA-N
MW525.58 g/mol
LogP6.23
Rot. Bonds10

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

3-(3,5-dimethoxyphenyl)-N-(4-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide (PubChem CID 4052079) has the molecular formula C31H28FN3O4 and a molecular weight of 525.58 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-N-(4-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-N-(4-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
PubChem CID4052079
Molecular FormulaC31H28FN3O4
Molecular Weight525.58 g/mol
Exact Mass525.21
IUPAC Name3-(3,5-dimethoxyphenyl)-N-(4-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
SMILESCOc1cc(OC)cc(C(CC(=O)Nc2ccc(F)cc2)c2cnc3c(OCc4ccccc4)cccn23)c1
InChIInChI=1S/C31H28FN3O4/c1-37-25-15-22(16-26(17-25)38-2)27(18-30(36)34-24-12-10-23(32)11-13-24)28-19-33-31-29(9-6-14-35(28)31)39-20-21-7-4-3-5-8-21/h3-17,19,27H,18,20H2,1-2H3,(H,34,36)
InChIKeyGQTHSHYTYYHLJW-UHFFFAOYSA-N
XLogP6.23
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.58
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,5-dimethoxyphenyl)-N-(4-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 5216373
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
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
3-(3,5-dimethoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-phenylethyl)propanamide
CID 3274664
3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 42784065
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-fluorophenyl)-3-(2-methoxyphenyl)propanamide
CID 4290443
(3S)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-phenylethyl)propanamide
CID 7115600
N-(furan-2-ylmethyl)-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 42784079
N-(4-fluorophenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide
CID 9434497
3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(4-methylphenyl)propanamide
CID 42774691

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-N-(4-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-N-(4-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide (CID 4052079) is 3-(3,5-dimethoxyphenyl)-N-(4-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-N-(4-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-N-(4-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide is COc1cc(OC)cc(C(CC(=O)Nc2ccc(F)cc2)c2cnc3c(OCc4ccccc4)cccn23)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-N-(4-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide?
The InChIKey is GQTHSHYTYYHLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28FN3O4/c1-37-25-15-22(16-26(17-25)38-2)27(18-30(36)34-24-12-10-23(32)11-13-24)28-19-33-31-29(9-6-14-35(28)31)39-20-21-7-4-3-5-8-21/h3-17,19,27H,18,20H2,1-2H3,(H,34,36).
What are the key properties of 3-(3,5-dimethoxyphenyl)-N-(4-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide?
3-(3,5-dimethoxyphenyl)-N-(4-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide has a molecular weight of 525.58 g/mol, XLogP of 6.23, 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-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide is sourced from PubChem (CID 4052079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).