(4-benzylpiperidin-1-yl)-(1-benzyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-3-yl)methanone

C30H28N4OS — CID 46091372

IUPAC(4-benzylpiperidin-1-yl)-(1-benzyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-3-yl)methanone
SMILESO=C(c1nn(Cc2ccccc2)c2nccc(-c3cccs3)c12)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C30H28N4OS/c35-30(33-17-14-23(15-18-33)20-22-8-3-1-4-9-22)28-27-25(26-12-7-19-36-26)13-16-31-29(27)34(32-28)21-24-10-5-2-6-11-24/h1-13,16,19,23H,14-15,17-18,20-21H2
InChIKeyHLZGMIHSHSDFKV-UHFFFAOYSA-N
MW492.65 g/mol
LogP6.30
Rot. Bonds6

About (4-benzylpiperidin-1-yl)-(1-benzyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-3-yl)methanone

(4-benzylpiperidin-1-yl)-(1-benzyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-3-yl)methanone (PubChem CID 46091372) has the molecular formula C30H28N4OS and a molecular weight of 492.65 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(1-benzyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(1-benzyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-3-yl)methanone
PubChem CID46091372
Molecular FormulaC30H28N4OS
Molecular Weight492.65 g/mol
Exact Mass492.20
IUPAC Name(4-benzylpiperidin-1-yl)-(1-benzyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-3-yl)methanone
SMILESO=C(c1nn(Cc2ccccc2)c2nccc(-c3cccs3)c12)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C30H28N4OS/c35-30(33-17-14-23(15-18-33)20-22-8-3-1-4-9-22)28-27-25(26-12-7-19-36-26)13-16-31-29(27)34(32-28)21-24-10-5-2-6-11-24/h1-13,16,19,23H,14-15,17-18,20-21H2
InChIKeyHLZGMIHSHSDFKV-UHFFFAOYSA-N
XLogP6.30
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.65
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-benzylpiperidin-1-yl)-(1-benzyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(1-benzyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-3-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(1-benzyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-3-yl)methanone (CID 46091372) is (4-benzylpiperidin-1-yl)-(1-benzyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-3-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(1-benzyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-3-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(1-benzyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-3-yl)methanone is O=C(c1nn(Cc2ccccc2)c2nccc(-c3cccs3)c12)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(1-benzyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-3-yl)methanone?
The InChIKey is HLZGMIHSHSDFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4OS/c35-30(33-17-14-23(15-18-33)20-22-8-3-1-4-9-22)28-27-25(26-12-7-19-36-26)13-16-31-29(27)34(32-28)21-24-10-5-2-6-11-24/h1-13,16,19,23H,14-15,17-18,20-21H2.
What are the key properties of (4-benzylpiperidin-1-yl)-(1-benzyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-3-yl)methanone?
(4-benzylpiperidin-1-yl)-(1-benzyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-3-yl)methanone has a molecular weight of 492.65 g/mol, XLogP of 6.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(1-benzyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-3-yl)methanone is sourced from PubChem (CID 46091372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).