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

C19H23N5OS — CID 119631004

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

[2-(aminomethyl)pyrrolidin-1-yl]-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone (PubChem CID 119631004) has the molecular formula C19H23N5OS and a molecular weight of 369.49 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.

Molecular Properties

• Compound Name: [2-(aminomethyl)pyrrolidin-1-yl]-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
• PubChem CID: 119631004
• Molecular Formula: C19H23N5OS
• Molecular Weight: 369.49 g/mol
• Exact Mass: 369.16
• IUPAC Name: [2-(aminomethyl)pyrrolidin-1-yl]-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
• SMILES: CC(C)n1ncc2c(C(=O)N3CCCC3CN)cc(-c3cccs3)nc21
• InChI: InChI=1S/C19H23N5OS/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
• InChIKey: GFMFFUIMPMDPLH-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 77.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.49
LogP ≤ 5	3.30
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?

The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone (CID 119631004) is [2-(aminomethyl)pyrrolidin-1-yl]-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone.

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?

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

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?

The InChIKey is GFMFFUIMPMDPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/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.

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?

[2-(aminomethyl)pyrrolidin-1-yl]-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone has a molecular weight of 369.49 g/mol, XLogP of 3.30, 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 is sourced from PubChem (CID 119631004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).