3-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-propan-2-yloxybenzoic acid

C21H24N4O4 — CID 120517900

IUPAC3-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-propan-2-yloxybenzoic acid
SMILESCc1cc(C(=O)Nc2cc(C(=O)O)ccc2OC(C)C)c2cnn(C(C)C)c2n1
InChIInChI=1S/C21H24N4O4/c1-11(2)25-19-16(10-22-25)15(8-13(5)23-19)20(26)24-17-9-14(21(27)28)6-7-18(17)29-12(3)4/h6-12H,1-5H3,(H,24,26)(H,27,28)
InChIKeyCZWPCNSVNKEECS-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.06
Rot. Bonds6

About 3-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-propan-2-yloxybenzoic acid

3-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-propan-2-yloxybenzoic acid (PubChem CID 120517900) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-propan-2-yloxybenzoic acid.

Molecular Properties

Compound Name3-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-propan-2-yloxybenzoic acid
PubChem CID120517900
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name3-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-propan-2-yloxybenzoic acid
SMILESCc1cc(C(=O)Nc2cc(C(=O)O)ccc2OC(C)C)c2cnn(C(C)C)c2n1
InChIInChI=1S/C21H24N4O4/c1-11(2)25-19-16(10-22-25)15(8-13(5)23-19)20(26)24-17-9-14(21(27)28)6-7-18(17)29-12(3)4/h6-12H,1-5H3,(H,24,26)(H,27,28)
InChIKeyCZWPCNSVNKEECS-UHFFFAOYSA-N
XLogP4.06
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-propan-2-yloxybenzoic acid with MolForge

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Related Compounds

N-[2-methoxy-5-(methylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 78887349
3-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-methylbenzoic acid
CID 120522318
N-(4-acetamidophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 42152657
N-(4-bromo-2-methylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 17489482
4-[2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]ethyl]benzoic acid
CID 120513011
N-[2-(ethoxymethyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 86821819
3-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]benzoic acid
CID 120522396
N-[4-hydroxy-3-(trifluoromethyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 71855273
6-methyl-N-(4-methyl-2-pyridinyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 42023810
3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196672
3-methoxy-2-methyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid
CID 120531870
3-[(2,3-dimethylbenzoyl)amino]-4-propan-2-yloxybenzoic acid
CID 119196243

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-propan-2-yloxybenzoic acid?
The IUPAC name of 3-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-propan-2-yloxybenzoic acid (CID 120517900) is 3-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-propan-2-yloxybenzoic acid.
What is the SMILES notation for 3-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-propan-2-yloxybenzoic acid?
The canonical SMILES for 3-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-propan-2-yloxybenzoic acid is Cc1cc(C(=O)Nc2cc(C(=O)O)ccc2OC(C)C)c2cnn(C(C)C)c2n1.
What is the InChIKey of 3-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-propan-2-yloxybenzoic acid?
The InChIKey is CZWPCNSVNKEECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-11(2)25-19-16(10-22-25)15(8-13(5)23-19)20(26)24-17-9-14(21(27)28)6-7-18(17)29-12(3)4/h6-12H,1-5H3,(H,24,26)(H,27,28).
What are the key properties of 3-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-propan-2-yloxybenzoic acid?
3-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-propan-2-yloxybenzoic acid has a molecular weight of 396.45 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-propan-2-yloxybenzoic acid is sourced from PubChem (CID 120517900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).