2-[2-methyl-7-(N-methylanilino)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid

C23H19N5O2 — CID 136953132

IUPAC2-[2-methyl-7-(N-methylanilino)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
SMILESCN(c1ccccc1)c1cccc2c(-c3cc4nccc(C(=O)O)c4[nH]3)n(C)nc12
InChIInChI=1S/C23H19N5O2/c1-27(14-7-4-3-5-8-14)19-10-6-9-15-21(19)26-28(2)22(15)18-13-17-20(25-18)16(23(29)30)11-12-24-17/h3-13,25H,1-2H3,(H,29,30)
InChIKeyDMDHXAVLJWCUFM-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.58
Rot. Bonds4

About 2-[2-methyl-7-(N-methylanilino)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid

2-[2-methyl-7-(N-methylanilino)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (PubChem CID 136953132) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-[2-methyl-7-(N-methylanilino)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-[2-methyl-7-(N-methylanilino)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
PubChem CID136953132
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name2-[2-methyl-7-(N-methylanilino)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
SMILESCN(c1ccccc1)c1cccc2c(-c3cc4nccc(C(=O)O)c4[nH]3)n(C)nc12
InChIInChI=1S/C23H19N5O2/c1-27(14-7-4-3-5-8-14)19-10-6-9-15-21(19)26-28(2)22(15)18-13-17-20(25-18)16(23(29)30)11-12-24-17/h3-13,25H,1-2H3,(H,29,30)
InChIKeyDMDHXAVLJWCUFM-UHFFFAOYSA-N
XLogP4.58
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-methyl-7-(N-methylanilino)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-7-(N-methylanilino)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-[2-methyl-7-(N-methylanilino)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (CID 136953132) is 2-[2-methyl-7-(N-methylanilino)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-[2-methyl-7-(N-methylanilino)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-[2-methyl-7-(N-methylanilino)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid is CN(c1ccccc1)c1cccc2c(-c3cc4nccc(C(=O)O)c4[nH]3)n(C)nc12.
What is the InChIKey of 2-[2-methyl-7-(N-methylanilino)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is DMDHXAVLJWCUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-27(14-7-4-3-5-8-14)19-10-6-9-15-21(19)26-28(2)22(15)18-13-17-20(25-18)16(23(29)30)11-12-24-17/h3-13,25H,1-2H3,(H,29,30).
What are the key properties of 2-[2-methyl-7-(N-methylanilino)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
2-[2-methyl-7-(N-methylanilino)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 397.44 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-7-(N-methylanilino)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 136953132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).