2-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid

C17H16N2O2 — CID 129283446

IUPAC2-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
SMILESCC(C)c1ccc(-c2cc3cc(C(=O)O)cnc3[nH]2)cc1
InChIInChI=1S/C17H16N2O2/c1-10(2)11-3-5-12(6-4-11)15-8-13-7-14(17(20)21)9-18-16(13)19-15/h3-10H,1-2H3,(H,18,19)(H,20,21)
InChIKeyBRUJPEJZVSQOBA-UHFFFAOYSA-N
MW280.33 g/mol
LogP4.05
Rot. Bonds3

About 2-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid

2-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid (PubChem CID 129283446) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
PubChem CID129283446
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
SMILESCC(C)c1ccc(-c2cc3cc(C(=O)O)cnc3[nH]2)cc1
InChIInChI=1S/C17H16N2O2/c1-10(2)11-3-5-12(6-4-11)15-8-13-7-14(17(20)21)9-18-16(13)19-15/h3-10H,1-2H3,(H,18,19)(H,20,21)
InChIKeyBRUJPEJZVSQOBA-UHFFFAOYSA-N
XLogP4.05
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-propan-2-ylquinoline-3-carboxylic acid
CID 82113674
5-chloro-2-(4-propan-2-ylphenyl)pyrimidine-4-carboxylic acid
CID 106511897
2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 116878737
2-[(1R)-2-cyclopentyl-1-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 53251410
1-[(4-propan-2-ylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 16778930
6-(4-propan-2-ylphenyl)-2-sulfanylidene-1H-pyridine-3-carboxylic acid
CID 82124062
(2R)-4-[6-(4-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpiperazine-1-carboxamide
CID 90114426
5-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid
CID 63459288
(2R)-4-[6-(4-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpiperazine-1-carboxamide
CID 90114583
4-propan-2-ylbenzoic acid;hydrochloride
CID 70157848
copper 4-propan-2-ylbenzoic acid
CID 54605006
5-amino-6-(4-propan-2-ylphenoxy)pyridine-3-carboxylic acid
CID 81438860

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid?
The IUPAC name of 2-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid (CID 129283446) is 2-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid?
The canonical SMILES for 2-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid is CC(C)c1ccc(-c2cc3cc(C(=O)O)cnc3[nH]2)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid?
The InChIKey is BRUJPEJZVSQOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-10(2)11-3-5-12(6-4-11)15-8-13-7-14(17(20)21)9-18-16(13)19-15/h3-10H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid?
2-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 129283446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).