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

C23H19N5O2 — CID 136953108

IUPAC2-[2-methyl-6-(N-methylanilino)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
SMILESCN(c1ccccc1)c1ccc2c(-c3cc4nccc(C(=O)O)c4[nH]3)n(C)nc2c1
InChIInChI=1S/C23H19N5O2/c1-27(14-6-4-3-5-7-14)15-8-9-16-18(12-15)26-28(2)22(16)20-13-19-21(25-20)17(23(29)30)10-11-24-19/h3-13,25H,1-2H3,(H,29,30)
InChIKeyBCHHWANJSHBCCY-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.58
Rot. Bonds4

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

2-[2-methyl-6-(N-methylanilino)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (PubChem CID 136953108) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-[2-methyl-6-(N-methylanilino)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-[2-methyl-6-(N-methylanilino)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
PubChem CID136953108
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name2-[2-methyl-6-(N-methylanilino)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
SMILESCN(c1ccccc1)c1ccc2c(-c3cc4nccc(C(=O)O)c4[nH]3)n(C)nc2c1
InChIInChI=1S/C23H19N5O2/c1-27(14-6-4-3-5-7-14)15-8-9-16-18(12-15)26-28(2)22(16)20-13-19-21(25-20)17(23(29)30)10-11-24-19/h3-13,25H,1-2H3,(H,29,30)
InChIKeyBCHHWANJSHBCCY-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

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Related Compounds

4-Cyclohexyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid
CID 157037881
4-{6-[6-(propan-2-ylamino)-1H-indazol-1-yl]pyrazin-2-yl}benzoic acid
CID 132471857
1-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]pyrazole-3-carboxylic acid
CID 166632811
3-(1-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide
CID 66604810
3-[(1-Acetylindole-3-carbonyl)amino]-5-(1-methylindazol-5-yl)benzoic acid
CID 141736374
US8785489, 4-[({[1-methyl-5-(2-pyridin-4-yl-1H-indol-5-yl)-1H-pyrazol-3-yl]carbonyl}amino)methyl]benzoic acid
CID 45376868
1-Methyl-5-[(2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid
CID 165415002
US10174026, Example 2
CID 86280871
6-[6-[6-(Propan-2-ylamino)indazol-1-yl]pyrazin-2-yl]pyridine-3-carboxylic acid
CID 145968656
Reticulatate
CID 44559555
US8785489, 4-{[({5-[2-(2-fluoropyridin-4-yl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl}carbonyl)amino]methyl}benzoic acid
CID 45377003
US8785489, 4-[({[1-methyl-5-(2-pyridin-3-yl-1H-indol-5-yl)-1H-pyrazol-3-yl]carbonyl}amino)methyl]benzoic acid
CID 45377004

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-(N-methylanilino)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-[2-methyl-6-(N-methylanilino)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (CID 136953108) is 2-[2-methyl-6-(N-methylanilino)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-[2-methyl-6-(N-methylanilino)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-[2-methyl-6-(N-methylanilino)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid is CN(c1ccccc1)c1ccc2c(-c3cc4nccc(C(=O)O)c4[nH]3)n(C)nc2c1.
What is the InChIKey of 2-[2-methyl-6-(N-methylanilino)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is BCHHWANJSHBCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-27(14-6-4-3-5-7-14)15-8-9-16-18(12-15)26-28(2)22(16)20-13-19-21(25-20)17(23(29)30)10-11-24-19/h3-13,25H,1-2H3,(H,29,30).
What are the key properties of 2-[2-methyl-6-(N-methylanilino)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
2-[2-methyl-6-(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-6-(N-methylanilino)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 136953108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).