2-[6-(N-ethylanilino)-2-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid

C24H21N5O2 — CID 137014390

IUPAC2-[6-(N-ethylanilino)-2-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
SMILESCCN(c1ccccc1)c1ccc2c(-c3cc4nccc(C(=O)O)c4[nH]3)n(C)nc2c1
InChIInChI=1S/C24H21N5O2/c1-3-29(15-7-5-4-6-8-15)16-9-10-17-19(13-16)27-28(2)23(17)21-14-20-22(26-21)18(24(30)31)11-12-25-20/h4-14,26H,3H2,1-2H3,(H,30,31)
InChIKeyJLBBRYSYDDMCLU-UHFFFAOYSA-N
MW411.47 g/mol
LogP4.97
Rot. Bonds5

About 2-[6-(N-ethylanilino)-2-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid

2-[6-(N-ethylanilino)-2-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (PubChem CID 137014390) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 2-[6-(N-ethylanilino)-2-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-[6-(N-ethylanilino)-2-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
PubChem CID137014390
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name2-[6-(N-ethylanilino)-2-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
SMILESCCN(c1ccccc1)c1ccc2c(-c3cc4nccc(C(=O)O)c4[nH]3)n(C)nc2c1
InChIInChI=1S/C24H21N5O2/c1-3-29(15-7-5-4-6-8-15)16-9-10-17-19(13-16)27-28(2)23(17)21-14-20-22(26-21)18(24(30)31)11-12-25-20/h4-14,26H,3H2,1-2H3,(H,30,31)
InChIKeyJLBBRYSYDDMCLU-UHFFFAOYSA-N
XLogP4.97
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[7-(N-ethylanilino)-2-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
CID 137014322
2-[7-(4-chloro-N-methylanilino)-2-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
CID 137014313
2-phenyl-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
CID 86280871
2-[6-(4-methoxy-N-methylanilino)-1-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
CID 137014274
2-[7-(4-chlorophenoxy)-1-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
CID 137014355
[4-(N-ethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208139
6-[6-(4-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 147946937
4-(N-ethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109219349
4-(N-benzylanilino)-N,N-diethylpyridine-2-carboxamide
CID 109216457
6-[2-(cyclopropylmethyl)-6-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(2,3-dihydroindol-1-yl)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(N-ethylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-(2-hydroxyethyl)-6-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 159857580
6-[6-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 148917605
2-(1-hydroxyethyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
CID 86281021

Frequently Asked Questions

What is the IUPAC name of 2-[6-(N-ethylanilino)-2-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-[6-(N-ethylanilino)-2-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (CID 137014390) is 2-[6-(N-ethylanilino)-2-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-[6-(N-ethylanilino)-2-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-[6-(N-ethylanilino)-2-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid is CCN(c1ccccc1)c1ccc2c(-c3cc4nccc(C(=O)O)c4[nH]3)n(C)nc2c1.
What is the InChIKey of 2-[6-(N-ethylanilino)-2-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is JLBBRYSYDDMCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-3-29(15-7-5-4-6-8-15)16-9-10-17-19(13-16)27-28(2)23(17)21-14-20-22(26-21)18(24(30)31)11-12-25-20/h4-14,26H,3H2,1-2H3,(H,30,31).
What are the key properties of 2-[6-(N-ethylanilino)-2-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
2-[6-(N-ethylanilino)-2-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 411.47 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(N-ethylanilino)-2-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 137014390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).