6-(4-methylphenyl)-1-propan-2-yl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C26H28N6O — CID 55780060

IUPAC6-(4-methylphenyl)-1-propan-2-yl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cccnc3N3CCCC3)c3cnn(C(C)C)c3n2)cc1
InChIInChI=1S/C26H28N6O/c1-17(2)32-24-21(16-28-32)20(15-23(29-24)19-10-8-18(3)9-11-19)26(33)30-22-7-6-12-27-25(22)31-13-4-5-14-31/h6-12,15-17H,4-5,13-14H2,1-3H3,(H,30,33)
InChIKeyYURFUQKOULPJER-UHFFFAOYSA-N
MW440.55 g/mol
LogP5.24
Rot. Bonds5

About 6-(4-methylphenyl)-1-propan-2-yl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide

6-(4-methylphenyl)-1-propan-2-yl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55780060) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is 6-(4-methylphenyl)-1-propan-2-yl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(4-methylphenyl)-1-propan-2-yl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55780060
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC Name6-(4-methylphenyl)-1-propan-2-yl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cccnc3N3CCCC3)c3cnn(C(C)C)c3n2)cc1
InChIInChI=1S/C26H28N6O/c1-17(2)32-24-21(16-28-32)20(15-23(29-24)19-10-8-18(3)9-11-19)26(33)30-22-7-6-12-27-25(22)31-13-4-5-14-31/h6-12,15-17H,4-5,13-14H2,1-3H3,(H,30,33)
InChIKeyYURFUQKOULPJER-UHFFFAOYSA-N
XLogP5.24
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55494016
6-(4-methylphenyl)-N-(2-phenylpyrimidin-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 139015894
methyl 6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693200
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 55495276
[3-(methylamino)piperidin-1-yl]-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 119491906
6-cyclopropyl-1-propan-2-yl-N-quinolin-8-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30845972
6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-quinolin-5-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16605028
6-(2,5-dimethylfuran-3-yl)-N-(2-methoxy-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55795053
1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355904
6-phenyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 27554312
6-(4-methylphenyl)-1-propan-2-yl-N-[4-(sulfamoylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55552986
6-phenyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 27741134

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-1-propan-2-yl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(4-methylphenyl)-1-propan-2-yl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 55780060) is 6-(4-methylphenyl)-1-propan-2-yl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(4-methylphenyl)-1-propan-2-yl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(4-methylphenyl)-1-propan-2-yl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3cccnc3N3CCCC3)c3cnn(C(C)C)c3n2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-1-propan-2-yl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is YURFUQKOULPJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c1-17(2)32-24-21(16-28-32)20(15-23(29-24)19-10-8-18(3)9-11-19)26(33)30-22-7-6-12-27-25(22)31-13-4-5-14-31/h6-12,15-17H,4-5,13-14H2,1-3H3,(H,30,33).
What are the key properties of 6-(4-methylphenyl)-1-propan-2-yl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
6-(4-methylphenyl)-1-propan-2-yl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-1-propan-2-yl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55780060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).