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

C19H25Cl2N5OS — CID 119631003

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

[2-(aminomethyl)pyrrolidin-1-yl]-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride (PubChem CID 119631003) has the molecular formula C19H25Cl2N5OS and a molecular weight of 442.42 g/mol. Its IUPAC name is [2-(aminomethyl)pyrrolidin-1-yl]-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride.

Molecular Properties

• Compound Name: [2-(aminomethyl)pyrrolidin-1-yl]-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
• PubChem CID: 119631003
• Molecular Formula: C19H25Cl2N5OS
• Molecular Weight: 442.42 g/mol
• Exact Mass: 441.12
• IUPAC Name: [2-(aminomethyl)pyrrolidin-1-yl]-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
• SMILES: CC(C)n1ncc2c(C(=O)N3CCCC3CN)cc(-c3cccs3)nc21.Cl.Cl
• InChI: InChI=1S/C19H23N5OS.2ClH/c1-12(2)24-18-15(11-21-24)14(9-16(22-18)17-6-4-8-26-17)19(25)23-7-3-5-13(23)10-20;;/h4,6,8-9,11-13H,3,5,7,10,20H2,1-2H3;2*1H
• InChIKey: WSJADSZLNICNRX-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 77.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.42
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride (CID 119631003) is [2-(aminomethyl)pyrrolidin-1-yl]-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride.

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

The canonical SMILES for [2-(aminomethyl)pyrrolidin-1-yl]-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride is CC(C)n1ncc2c(C(=O)N3CCCC3CN)cc(-c3cccs3)nc21.Cl.Cl.

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

The InChIKey is WSJADSZLNICNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS.2ClH/c1-12(2)24-18-15(11-21-24)14(9-16(22-18)17-6-4-8-26-17)19(25)23-7-3-5-13(23)10-20;;/h4,6,8-9,11-13H,3,5,7,10,20H2,1-2H3;2*1H.

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

[2-(aminomethyl)pyrrolidin-1-yl]-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride has a molecular weight of 442.42 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(aminomethyl)pyrrolidin-1-yl]-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 119631003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).