5-[5-methyl-2-(pyridin-4-ylmethylcarbamoyl)-1H-imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

C19H16N6O3 — CID 91073298

IUPAC5-[5-methyl-2-(pyridin-4-ylmethylcarbamoyl)-1H-imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESCc1[nH]c(C(=O)NCc2ccncc2)nc1-c1cnc2[nH]c(C(=O)O)cc2c1
InChIInChI=1S/C19H16N6O3/c1-10-15(13-6-12-7-14(19(27)28)24-16(12)21-9-13)25-17(23-10)18(26)22-8-11-2-4-20-5-3-11/h2-7,9H,8H2,1H3,(H,21,24)(H,22,26)(H,23,25)(H,27,28)
InChIKeyBRSWOFFVFBIIFK-UHFFFAOYSA-N
MW376.38 g/mol
LogP2.28
Rot. Bonds5

About 5-[5-methyl-2-(pyridin-4-ylmethylcarbamoyl)-1H-imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

5-[5-methyl-2-(pyridin-4-ylmethylcarbamoyl)-1H-imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (PubChem CID 91073298) has the molecular formula C19H16N6O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is 5-[5-methyl-2-(pyridin-4-ylmethylcarbamoyl)-1H-imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[5-methyl-2-(pyridin-4-ylmethylcarbamoyl)-1H-imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
PubChem CID91073298
Molecular FormulaC19H16N6O3
Molecular Weight376.38 g/mol
Exact Mass376.13
IUPAC Name5-[5-methyl-2-(pyridin-4-ylmethylcarbamoyl)-1H-imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESCc1[nH]c(C(=O)NCc2ccncc2)nc1-c1cnc2[nH]c(C(=O)O)cc2c1
InChIInChI=1S/C19H16N6O3/c1-10-15(13-6-12-7-14(19(27)28)24-16(12)21-9-13)25-17(23-10)18(26)22-8-11-2-4-20-5-3-11/h2-7,9H,8H2,1H3,(H,21,24)(H,22,26)(H,23,25)(H,27,28)
InChIKeyBRSWOFFVFBIIFK-UHFFFAOYSA-N
XLogP2.28
TPSA136.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(4-Methylpiperazin-1-Yl)phenyl]-9h-Pyrrolo[2,3-B:5,4-C']dipyridine-6-Carboxylic Acid
CID 58266559
5-[[[2-methyl-5-[[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]methyl]amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylicacid,methylester
CID 68796885
5-{2-(Ethylcarbamoyl)-4-[3-(Trifluoromethyl)-1h-Pyrazol-1-Yl]-1h-Pyrrolo[2,3-B]pyridin-5-Yl}pyridine-3-Carboxylic Acid
CID 57411983
N-ethyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 137634895
N-ethyl-4-(2-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 137661938
methyl 5-[[5-(1H-indole-5-carbonylamino)-2-methylphenyl]methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 76900625
methyl 5-[[2-methyl-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 76903082
methyl 5-[[2-methyl-5-[(5-methylpyridine-3-carbonyl)amino]phenyl]methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 76903275
methyl 5-[[2-methyl-5-[(2-methylpyridine-4-carbonyl)amino]phenyl]methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 76903460
(R)-6-((1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl)(methyl)amino)nicotinic acid
CID 68029369
5-Methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxylic acid 4-pyridylmethyl amide
CID 135887182
US8785489, 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-3-ylmethyl)-1H-imidazole-2-carboxamide
CID 136341026

Frequently Asked Questions

What is the IUPAC name of 5-[5-methyl-2-(pyridin-4-ylmethylcarbamoyl)-1H-imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 5-[5-methyl-2-(pyridin-4-ylmethylcarbamoyl)-1H-imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (CID 91073298) is 5-[5-methyl-2-(pyridin-4-ylmethylcarbamoyl)-1H-imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[5-methyl-2-(pyridin-4-ylmethylcarbamoyl)-1H-imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[5-methyl-2-(pyridin-4-ylmethylcarbamoyl)-1H-imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is Cc1[nH]c(C(=O)NCc2ccncc2)nc1-c1cnc2[nH]c(C(=O)O)cc2c1.
What is the InChIKey of 5-[5-methyl-2-(pyridin-4-ylmethylcarbamoyl)-1H-imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is BRSWOFFVFBIIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3/c1-10-15(13-6-12-7-14(19(27)28)24-16(12)21-9-13)25-17(23-10)18(26)22-8-11-2-4-20-5-3-11/h2-7,9H,8H2,1H3,(H,21,24)(H,22,26)(H,23,25)(H,27,28).
What are the key properties of 5-[5-methyl-2-(pyridin-4-ylmethylcarbamoyl)-1H-imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
5-[5-methyl-2-(pyridin-4-ylmethylcarbamoyl)-1H-imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 376.38 g/mol, XLogP of 2.28, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-methyl-2-(pyridin-4-ylmethylcarbamoyl)-1H-imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 91073298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).