[2-(aminomethyl)piperidin-1-yl]-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride

C19H25Cl2N5OS — CID 119468131

About [2-(aminomethyl)piperidin-1-yl]-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride

[2-(aminomethyl)piperidin-1-yl]-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride (PubChem CID 119468131) has the molecular formula C19H25Cl2N5OS and a molecular weight of 442.42 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride.

Molecular Properties

• Compound Name: [2-(aminomethyl)piperidin-1-yl]-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
• PubChem CID: 119468131
• Molecular Formula: C19H25Cl2N5OS
• Molecular Weight: 442.42 g/mol
• Exact Mass: 441.12
• IUPAC Name: [2-(aminomethyl)piperidin-1-yl]-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
• SMILES: Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCCCC3CN)c12.Cl.Cl
• InChI: InChI=1S/C19H23N5OS.2ClH/c1-12-17-14(19(25)24-8-4-3-6-13(24)11-20)10-15(16-7-5-9-26-16)21-18(17)23(2)22-12;;/h5,7,9-10,13H,3-4,6,8,11,20H2,1-2H3;2*1H
• InChIKey: AJALRPPGXQGCLV-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 77.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.42
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride?

The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride (CID 119468131) is [2-(aminomethyl)piperidin-1-yl]-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride.

What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride?

The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride is Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCCCC3CN)c12.Cl.Cl.

What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride?

The InChIKey is AJALRPPGXQGCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS.2ClH/c1-12-17-14(19(25)24-8-4-3-6-13(24)11-20)10-15(16-7-5-9-26-16)21-18(17)23(2)22-12;;/h5,7,9-10,13H,3-4,6,8,11,20H2,1-2H3;2*1H.

What are the key properties of [2-(aminomethyl)piperidin-1-yl]-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride?

[2-(aminomethyl)piperidin-1-yl]-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride has a molecular weight of 442.42 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(aminomethyl)piperidin-1-yl]-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 119468131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).