(3R)-3-[1-[(1,4-dimethyl-2,3-dihydroindol-3-yl)methyl]-5-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl]-3-pyridin-3-ylpropanoic acid

C26H27N5O3 — CID 70236428

IUPAC(3R)-3-[1-[(1,4-dimethyl-2,3-dihydroindol-3-yl)methyl]-5-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl]-3-pyridin-3-ylpropanoic acid
SMILESCc1ccc2c(n1)n([C@H](CC(=O)O)c1cccnc1)c(=O)n2CC1CN(C)c2cccc(C)c21
InChIInChI=1S/C26H27N5O3/c1-16-6-4-8-20-24(16)19(14-29(20)3)15-30-21-10-9-17(2)28-25(21)31(26(30)34)22(12-23(32)33)18-7-5-11-27-13-18/h4-11,13,19,22H,12,14-15H2,1-3H3,(H,32,33)/t19?,22-/m1/s1
InChIKeyXPIQAKNNQGSPJG-AVKWCDSFSA-N
MW457.53 g/mol
LogP3.51
Rot. Bonds6

About (3R)-3-[1-[(1,4-dimethyl-2,3-dihydroindol-3-yl)methyl]-5-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl]-3-pyridin-3-ylpropanoic acid

(3R)-3-[1-[(1,4-dimethyl-2,3-dihydroindol-3-yl)methyl]-5-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl]-3-pyridin-3-ylpropanoic acid (PubChem CID 70236428) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is (3R)-3-[1-[(1,4-dimethyl-2,3-dihydroindol-3-yl)methyl]-5-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl]-3-pyridin-3-ylpropanoic acid.

Molecular Properties

Compound Name(3R)-3-[1-[(1,4-dimethyl-2,3-dihydroindol-3-yl)methyl]-5-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl]-3-pyridin-3-ylpropanoic acid
PubChem CID70236428
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC Name(3R)-3-[1-[(1,4-dimethyl-2,3-dihydroindol-3-yl)methyl]-5-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl]-3-pyridin-3-ylpropanoic acid
SMILESCc1ccc2c(n1)n([C@H](CC(=O)O)c1cccnc1)c(=O)n2CC1CN(C)c2cccc(C)c21
InChIInChI=1S/C26H27N5O3/c1-16-6-4-8-20-24(16)19(14-29(20)3)15-30-21-10-9-17(2)28-25(21)31(26(30)34)22(12-23(32)33)18-7-5-11-27-13-18/h4-11,13,19,22H,12,14-15H2,1-3H3,(H,32,33)/t19?,22-/m1/s1
InChIKeyXPIQAKNNQGSPJG-AVKWCDSFSA-N
XLogP3.51
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-3-[1-[(1,4-dimethyl-2,3-dihydroindol-3-yl)methyl]-5-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl]-3-pyridin-3-ylpropanoic acid with MolForge

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Related Compounds

ethyl (3R)-3-[1-[(1,4-dimethyl-2,3-dihydroindol-3-yl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]-3-phenylpropanoate
CID 70233430
3-[3-[(4-methyl-2,3-dihydro-1H-indol-3-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoic acid
CID 70278791
3-pyridin-3-yl-3-pyrrol-1-ylpropanoic acid
CID 82471434
(3S)-3-piperidin-1-yl-3-pyridin-3-ylpropanoic acid
CID 92864030
3-[3-[(4-methyl-2,3-dihydro-1-benzothiophen-3-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoic acid
CID 70279067
(3R)-3-[5-carbamoyl-2-oxo-1-[(1,4,6-trimethylindol-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]-3-(4-fluorophenyl)propanoic acid
CID 58497435
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
4-hydroxy-1-(1-pyridin-3-ylpropyl)pyrrolidin-2-one
CID 168701544
(3R)-3-[3-[(1,4-dimethylindol-3-yl)methyl]-2-oxobenzimidazol-1-yl]-3-(4-fluorophenyl)propanoic acid
CID 59497663
3-(dimethylamino)-3-pyridin-3-ylpropanoic acid
CID 64526600
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-pyridin-3-ylbutan-1-one
CID 110648962
3,4-diamino-4-pyridin-3-ylbutanoic acid
CID 116942862

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[1-[(1,4-dimethyl-2,3-dihydroindol-3-yl)methyl]-5-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl]-3-pyridin-3-ylpropanoic acid?
The IUPAC name of (3R)-3-[1-[(1,4-dimethyl-2,3-dihydroindol-3-yl)methyl]-5-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl]-3-pyridin-3-ylpropanoic acid (CID 70236428) is (3R)-3-[1-[(1,4-dimethyl-2,3-dihydroindol-3-yl)methyl]-5-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl]-3-pyridin-3-ylpropanoic acid.
What is the SMILES notation for (3R)-3-[1-[(1,4-dimethyl-2,3-dihydroindol-3-yl)methyl]-5-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl]-3-pyridin-3-ylpropanoic acid?
The canonical SMILES for (3R)-3-[1-[(1,4-dimethyl-2,3-dihydroindol-3-yl)methyl]-5-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl]-3-pyridin-3-ylpropanoic acid is Cc1ccc2c(n1)n([C@H](CC(=O)O)c1cccnc1)c(=O)n2CC1CN(C)c2cccc(C)c21.
What is the InChIKey of (3R)-3-[1-[(1,4-dimethyl-2,3-dihydroindol-3-yl)methyl]-5-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl]-3-pyridin-3-ylpropanoic acid?
The InChIKey is XPIQAKNNQGSPJG-AVKWCDSFSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-16-6-4-8-20-24(16)19(14-29(20)3)15-30-21-10-9-17(2)28-25(21)31(26(30)34)22(12-23(32)33)18-7-5-11-27-13-18/h4-11,13,19,22H,12,14-15H2,1-3H3,(H,32,33)/t19?,22-/m1/s1.
What are the key properties of (3R)-3-[1-[(1,4-dimethyl-2,3-dihydroindol-3-yl)methyl]-5-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl]-3-pyridin-3-ylpropanoic acid?
(3R)-3-[1-[(1,4-dimethyl-2,3-dihydroindol-3-yl)methyl]-5-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl]-3-pyridin-3-ylpropanoic acid has a molecular weight of 457.53 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[1-[(1,4-dimethyl-2,3-dihydroindol-3-yl)methyl]-5-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl]-3-pyridin-3-ylpropanoic acid is sourced from PubChem (CID 70236428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).