2-[6-(4-methoxy-N-methylanilino)-1-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid

C24H21N5O3 — CID 137014274

IUPAC2-[6-(4-methoxy-N-methylanilino)-1-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
SMILESCOc1ccc(N(C)c2ccc3c(-c4cc5nccc(C(=O)O)c5[nH]4)nn(C)c3c2)cc1
InChIInChI=1S/C24H21N5O3/c1-28(14-4-7-16(32-3)8-5-14)15-6-9-17-21(12-15)29(2)27-23(17)20-13-19-22(26-20)18(24(30)31)10-11-25-19/h4-13,26H,1-3H3,(H,30,31)
InChIKeyUDLHWGLTPDMGRN-UHFFFAOYSA-N
MW427.46 g/mol
LogP4.59
Rot. Bonds5

About 2-[6-(4-methoxy-N-methylanilino)-1-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid

2-[6-(4-methoxy-N-methylanilino)-1-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (PubChem CID 137014274) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is 2-[6-(4-methoxy-N-methylanilino)-1-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-[6-(4-methoxy-N-methylanilino)-1-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
PubChem CID137014274
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC Name2-[6-(4-methoxy-N-methylanilino)-1-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
SMILESCOc1ccc(N(C)c2ccc3c(-c4cc5nccc(C(=O)O)c5[nH]4)nn(C)c3c2)cc1
InChIInChI=1S/C24H21N5O3/c1-28(14-4-7-16(32-3)8-5-14)15-6-9-17-21(12-15)29(2)27-23(17)20-13-19-22(26-20)18(24(30)31)10-11-25-19/h4-13,26H,1-3H3,(H,30,31)
InChIKeyUDLHWGLTPDMGRN-UHFFFAOYSA-N
XLogP4.59
TPSA96.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[7-(4-chlorophenoxy)-1-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
CID 137014355
2-[6-(N-ethylanilino)-2-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
CID 137014390
6-[6-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 148917605
2-[7-(4-chloro-N-methylanilino)-2-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
CID 137014313
6-[6-(3-fluoro-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 149026987
2-[7-(N-ethylanilino)-2-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
CID 137014322
2-phenyl-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
CID 86280871
methyl 2-[2-methyl-5-(trifluoromethoxy)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylate
CID 137014405
6-[6-(4-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 147946937
azane;6-methoxyquinoline-4-carboxylic acid
CID 67151937
sodium;hydride;6-methoxyquinoline-4-carboxylic acid
CID 173088597
6-[6-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 148701691

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methoxy-N-methylanilino)-1-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-[6-(4-methoxy-N-methylanilino)-1-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (CID 137014274) is 2-[6-(4-methoxy-N-methylanilino)-1-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-[6-(4-methoxy-N-methylanilino)-1-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-[6-(4-methoxy-N-methylanilino)-1-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid is COc1ccc(N(C)c2ccc3c(-c4cc5nccc(C(=O)O)c5[nH]4)nn(C)c3c2)cc1.
What is the InChIKey of 2-[6-(4-methoxy-N-methylanilino)-1-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is UDLHWGLTPDMGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3/c1-28(14-4-7-16(32-3)8-5-14)15-6-9-17-21(12-15)29(2)27-23(17)20-13-19-22(26-20)18(24(30)31)10-11-25-19/h4-13,26H,1-3H3,(H,30,31).
What are the key properties of 2-[6-(4-methoxy-N-methylanilino)-1-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
2-[6-(4-methoxy-N-methylanilino)-1-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 427.46 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-methoxy-N-methylanilino)-1-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 137014274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).