6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

C24H26N6OS — CID 55843764

About 6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 55843764) has the molecular formula C24H26N6OS and a molecular weight of 446.58 g/mol. Its IUPAC name is 6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
• PubChem CID: 55843764
• Molecular Formula: C24H26N6OS
• Molecular Weight: 446.58 g/mol
• Exact Mass: 446.19
• IUPAC Name: 6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
• SMILES: Cc1cc(C(=O)NCc2ccc(N3CCCCC3)nc2)c2cnn(Cc3cccs3)c2n1
• InChI: InChI=1S/C24H26N6OS/c1-17-12-20(21-15-27-30(23(21)28-17)16-19-6-5-11-32-19)24(31)26-14-18-7-8-22(25-13-18)29-9-3-2-4-10-29/h5-8,11-13,15H,2-4,9-10,14,16H2,1H3,(H,26,31)
• InChIKey: WTVGRWXIRGGWCD-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.58
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 55843764) is 6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCc2ccc(N3CCCCC3)nc2)c2cnn(Cc3cccs3)c2n1.

What is the InChIKey of 6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?

The InChIKey is WTVGRWXIRGGWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6OS/c1-17-12-20(21-15-27-30(23(21)28-17)16-19-6-5-11-32-19)24(31)26-14-18-7-8-22(25-13-18)29-9-3-2-4-10-29/h5-8,11-13,15H,2-4,9-10,14,16H2,1H3,(H,26,31).

What are the key properties of 6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?

6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 446.58 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55843764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).