3-methyl-1-(2-methylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid

C18H19N3O2 — CID 19620009

IUPAC3-methyl-1-(2-methylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1nn(CC(C)C)c2nc(-c3ccccc3)cc(C(=O)O)c12
InChIInChI=1S/C18H19N3O2/c1-11(2)10-21-17-16(12(3)20-21)14(18(22)23)9-15(19-17)13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3,(H,22,23)
InChIKeyBTIYCSBJTRIABE-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.76
Rot. Bonds4

About 3-methyl-1-(2-methylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid

3-methyl-1-(2-methylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 19620009) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-methylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID19620009
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-methyl-1-(2-methylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1nn(CC(C)C)c2nc(-c3ccccc3)cc(C(=O)O)c12
InChIInChI=1S/C18H19N3O2/c1-11(2)10-21-17-16(12(3)20-21)14(18(22)23)9-15(19-17)13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3,(H,22,23)
InChIKeyBTIYCSBJTRIABE-UHFFFAOYSA-N
XLogP3.76
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-methyl-1-[(4-methylphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 25247937
2-(2-methylpropyl)-3-oxo-6-phenylpyridazine-4-carbonyl chloride
CID 82447273
1,3-dimethyl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 16782401
3-methyl-1-phenyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 25247551
1-[[4-(4-fluorophenoxy)phenyl]methyl]-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 118424720
3-methyl-1-(3-methylphenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 2487436
6-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 25247574
1-cyanoethyl 1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46516996
3-cyclopropyl-6-phenyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 19620013
[1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
CID 44821512
1-ethyl-3-methyl-6-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 44821453
3-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 120520164

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-methylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 19620009) is 3-methyl-1-(2-methylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-methylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-methylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid is Cc1nn(CC(C)C)c2nc(-c3ccccc3)cc(C(=O)O)c12.
What is the InChIKey of 3-methyl-1-(2-methylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is BTIYCSBJTRIABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-11(2)10-21-17-16(12(3)20-21)14(18(22)23)9-15(19-17)13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3,(H,22,23).
What are the key properties of 3-methyl-1-(2-methylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
3-methyl-1-(2-methylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 309.37 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 19620009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).