(3S)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-phenylethyl)propanamide

C26H27N3O2 — CID 7115600

IUPAC(3S)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-phenylethyl)propanamide
SMILESCOc1cccc([C@H](CC(=O)NCCc2ccccc2)c2cnc3c(C)cccn23)c1
InChIInChI=1S/C26H27N3O2/c1-19-8-7-15-29-24(18-28-26(19)29)23(21-11-6-12-22(16-21)31-2)17-25(30)27-14-13-20-9-4-3-5-10-20/h3-12,15-16,18,23H,13-14,17H2,1-2H3,(H,27,30)/t23-/m0/s1
InChIKeyWEXIFTXIAUZHMO-QHCPKHFHSA-N
MW413.52 g/mol
LogP4.53
Rot. Bonds8

About (3S)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-phenylethyl)propanamide

(3S)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-phenylethyl)propanamide (PubChem CID 7115600) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is (3S)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name(3S)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-phenylethyl)propanamide
PubChem CID7115600
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name(3S)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-phenylethyl)propanamide
SMILESCOc1cccc([C@H](CC(=O)NCCc2ccccc2)c2cnc3c(C)cccn23)c1
InChIInChI=1S/C26H27N3O2/c1-19-8-7-15-29-24(18-28-26(19)29)23(21-11-6-12-22(16-21)31-2)17-25(30)27-14-13-20-9-4-3-5-10-20/h3-12,15-16,18,23H,13-14,17H2,1-2H3,(H,27,30)/t23-/m0/s1
InChIKeyWEXIFTXIAUZHMO-QHCPKHFHSA-N
XLogP4.53
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-phenylethyl)propanamide
CID 3274664
(3S)-N-butyl-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 7332062
3-(3,5-dimethoxyphenyl)-N-(2-phenylethyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 3570484
N-cyclohexyl-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 4145383
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(dimethylamino)phenyl]-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 5072076
3-(3,5-dimethoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 42665394
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 42783571
N-hexyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 5050639
3-amino-N-[2-(3-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 119949515
N-butyl-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 4524635
3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 42783812
3-imidazo[1,2-a]pyridin-3-yl-3-(2-methoxyphenyl)-N-(2-phenylethyl)propanamide
CID 42782038

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-phenylethyl)propanamide?
The IUPAC name of (3S)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-phenylethyl)propanamide (CID 7115600) is (3S)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for (3S)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-phenylethyl)propanamide?
The canonical SMILES for (3S)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-phenylethyl)propanamide is COc1cccc([C@H](CC(=O)NCCc2ccccc2)c2cnc3c(C)cccn23)c1.
What is the InChIKey of (3S)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-phenylethyl)propanamide?
The InChIKey is WEXIFTXIAUZHMO-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-19-8-7-15-29-24(18-28-26(19)29)23(21-11-6-12-22(16-21)31-2)17-25(30)27-14-13-20-9-4-3-5-10-20/h3-12,15-16,18,23H,13-14,17H2,1-2H3,(H,27,30)/t23-/m0/s1.
What are the key properties of (3S)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-phenylethyl)propanamide?
(3S)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-phenylethyl)propanamide has a molecular weight of 413.52 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 7115600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).