5-[(7-methyl-2-propoxyimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzoic acid

C24H23N3O3 — CID 67941620

IUPAC5-[(7-methyl-2-propoxyimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzoic acid
SMILESCCCOc1nc2c(C)ccnc2n1Cc1ccc(-c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C24H23N3O3/c1-3-13-30-24-26-21-16(2)11-12-25-22(21)27(24)15-17-9-10-19(20(14-17)23(28)29)18-7-5-4-6-8-18/h4-12,14H,3,13,15H2,1-2H3,(H,28,29)
InChIKeyUNTNHHMDAKMUIH-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.94
Rot. Bonds7

About 5-[(7-methyl-2-propoxyimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzoic acid

5-[(7-methyl-2-propoxyimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzoic acid (PubChem CID 67941620) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 5-[(7-methyl-2-propoxyimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzoic acid.

Molecular Properties

Compound Name5-[(7-methyl-2-propoxyimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzoic acid
PubChem CID67941620
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name5-[(7-methyl-2-propoxyimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzoic acid
SMILESCCCOc1nc2c(C)ccnc2n1Cc1ccc(-c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C24H23N3O3/c1-3-13-30-24-26-21-16(2)11-12-25-22(21)27(24)15-17-9-10-19(20(14-17)23(28)29)18-7-5-4-6-8-18/h4-12,14H,3,13,15H2,1-2H3,(H,28,29)
InChIKeyUNTNHHMDAKMUIH-UHFFFAOYSA-N
XLogP4.94
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-ethoxy-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzoic acid
CID 67941649
5,7-dimethyl-2-propoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 22067356
2-[6-[(2-ethoxy-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]quinolin-2-yl]benzoic acid
CID 22915637
2-[3-bromo-7-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid
CID 139644509
2-phenyl-5-[[2,4,5-tris(4-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 174813442
5-(benzenesulfinyl)-2-butyl-3-[(3-carboxy-4-phenylphenyl)methyl]imidazole-4-carboxylic acid
CID 23352165
3-[(3-carboxy-4-phenylphenyl)methyl]-2-ethyl-5-(2-hydroxypropan-2-yl)imidazole-4-carboxylic acid
CID 19036285
2-(4-propoxyphenyl)benzoic acid
CID 62802761
(2S,3S,4S,5R,6S)-6-[2-[4-[(2-cyclopropyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 102096135
7-methyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-2-propylimidazo[4,5-b]pyridine
CID 131717247
5-[[6-[cyclohexylcarbamoyl(ethyl)amino]-4-methyl-2-propylbenzimidazol-1-yl]methyl]-2-phenylbenzoic acid
CID 139755182
5-dodecoxy-2-phenylbenzoic acid
CID 23289015

Frequently Asked Questions

What is the IUPAC name of 5-[(7-methyl-2-propoxyimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzoic acid?
The IUPAC name of 5-[(7-methyl-2-propoxyimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzoic acid (CID 67941620) is 5-[(7-methyl-2-propoxyimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzoic acid.
What is the SMILES notation for 5-[(7-methyl-2-propoxyimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzoic acid?
The canonical SMILES for 5-[(7-methyl-2-propoxyimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzoic acid is CCCOc1nc2c(C)ccnc2n1Cc1ccc(-c2ccccc2)c(C(=O)O)c1.
What is the InChIKey of 5-[(7-methyl-2-propoxyimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzoic acid?
The InChIKey is UNTNHHMDAKMUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-3-13-30-24-26-21-16(2)11-12-25-22(21)27(24)15-17-9-10-19(20(14-17)23(28)29)18-7-5-4-6-8-18/h4-12,14H,3,13,15H2,1-2H3,(H,28,29).
What are the key properties of 5-[(7-methyl-2-propoxyimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzoic acid?
5-[(7-methyl-2-propoxyimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzoic acid has a molecular weight of 401.47 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-methyl-2-propoxyimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzoic acid is sourced from PubChem (CID 67941620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).