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

C24H21N5O2 — CID 137014322

IUPAC2-[7-(N-ethylanilino)-2-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
SMILESCCN(c1ccccc1)c1cccc2c(-c3cc4nccc(C(=O)O)c4[nH]3)n(C)nc12
InChIInChI=1S/C24H21N5O2/c1-3-29(15-8-5-4-6-9-15)20-11-7-10-16-22(20)27-28(2)23(16)19-14-18-21(26-19)17(24(30)31)12-13-25-18/h4-14,26H,3H2,1-2H3,(H,30,31)
InChIKeyVXWMPPAEDGRVPW-UHFFFAOYSA-N
MW411.47 g/mol
LogP4.97
Rot. Bonds5

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

2-[7-(N-ethylanilino)-2-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (PubChem CID 137014322) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 2-[7-(N-ethylanilino)-2-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-[7-(N-ethylanilino)-2-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
PubChem CID137014322
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name2-[7-(N-ethylanilino)-2-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
SMILESCCN(c1ccccc1)c1cccc2c(-c3cc4nccc(C(=O)O)c4[nH]3)n(C)nc12
InChIInChI=1S/C24H21N5O2/c1-3-29(15-8-5-4-6-9-15)20-11-7-10-16-22(20)27-28(2)23(16)19-14-18-21(26-19)17(24(30)31)12-13-25-18/h4-14,26H,3H2,1-2H3,(H,30,31)
InChIKeyVXWMPPAEDGRVPW-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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Frequently Asked Questions

What is the IUPAC name of 2-[7-(N-ethylanilino)-2-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-[7-(N-ethylanilino)-2-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (CID 137014322) is 2-[7-(N-ethylanilino)-2-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-[7-(N-ethylanilino)-2-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-[7-(N-ethylanilino)-2-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid is CCN(c1ccccc1)c1cccc2c(-c3cc4nccc(C(=O)O)c4[nH]3)n(C)nc12.
What is the InChIKey of 2-[7-(N-ethylanilino)-2-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is VXWMPPAEDGRVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-3-29(15-8-5-4-6-9-15)20-11-7-10-16-22(20)27-28(2)23(16)19-14-18-21(26-19)17(24(30)31)12-13-25-18/h4-14,26H,3H2,1-2H3,(H,30,31).
What are the key properties of 2-[7-(N-ethylanilino)-2-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
2-[7-(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-[7-(N-ethylanilino)-2-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 137014322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).