4-chloro-N-(4-cyclopentylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide

C25H23ClN4O — CID 135252981

IUPAC4-chloro-N-(4-cyclopentylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(C4CCCC4)cc3)c(Cl)c12
InChIInChI=1S/C25H23ClN4O/c1-16-22-23(26)21(15-27-24(22)30(29-16)20-9-3-2-4-10-20)25(31)28-19-13-11-18(12-14-19)17-7-5-6-8-17/h2-4,9-15,17H,5-8H2,1H3,(H,28,31)
InChIKeyQZIJEXUATNRRAH-UHFFFAOYSA-N
MW430.94 g/mol
LogP6.29
Rot. Bonds4

About 4-chloro-N-(4-cyclopentylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-N-(4-cyclopentylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 135252981) has the molecular formula C25H23ClN4O and a molecular weight of 430.94 g/mol. Its IUPAC name is 4-chloro-N-(4-cyclopentylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-cyclopentylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID135252981
Molecular FormulaC25H23ClN4O
Molecular Weight430.94 g/mol
Exact Mass430.16
IUPAC Name4-chloro-N-(4-cyclopentylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(C4CCCC4)cc3)c(Cl)c12
InChIInChI=1S/C25H23ClN4O/c1-16-22-23(26)21(15-27-24(22)30(29-16)20-9-3-2-4-10-20)25(31)28-19-13-11-18(12-14-19)17-7-5-6-8-17/h2-4,9-15,17H,5-8H2,1H3,(H,28,31)
InChIKeyQZIJEXUATNRRAH-UHFFFAOYSA-N
XLogP6.29
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.94
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-cyclopentylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-N-(4-cyclopentylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 135252981) is 4-chloro-N-(4-cyclopentylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-cyclopentylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-N-(4-cyclopentylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(C4CCCC4)cc3)c(Cl)c12.
What is the InChIKey of 4-chloro-N-(4-cyclopentylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is QZIJEXUATNRRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O/c1-16-22-23(26)21(15-27-24(22)30(29-16)20-9-3-2-4-10-20)25(31)28-19-13-11-18(12-14-19)17-7-5-6-8-17/h2-4,9-15,17H,5-8H2,1H3,(H,28,31).
What are the key properties of 4-chloro-N-(4-cyclopentylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-N-(4-cyclopentylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 430.94 g/mol, XLogP of 6.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-cyclopentylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 135252981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).