6-[2-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]pyridine-3-carbonitrile

C20H24N6O — CID 70747169

About 6-[2-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]pyridine-3-carbonitrile

6-[2-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]pyridine-3-carbonitrile (PubChem CID 70747169) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-[2-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[2-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]pyridine-3-carbonitrile
• PubChem CID: 70747169
• Molecular Formula: C20H24N6O
• Molecular Weight: 364.45 g/mol
• Exact Mass: 364.20
• IUPAC Name: 6-[2-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]pyridine-3-carbonitrile
• SMILES: N#Cc1ccc(N2CCCn3nc(CCC(=O)N4CCCC4)cc3C2)nc1
• InChI: InChI=1S/C20H24N6O/c21-13-16-4-6-19(22-14-16)25-10-3-11-26-18(15-25)12-17(23-26)5-7-20(27)24-8-1-2-9-24/h4,6,12,14H,1-3,5,7-11,15H2
• InChIKey: DBNUVQOXGGJLCN-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 78.05 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.45
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]pyridine-3-carbonitrile?

The IUPAC name of 6-[2-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]pyridine-3-carbonitrile (CID 70747169) is 6-[2-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[2-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]pyridine-3-carbonitrile?

The canonical SMILES for 6-[2-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCCn3nc(CCC(=O)N4CCCC4)cc3C2)nc1.

What is the InChIKey of 6-[2-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]pyridine-3-carbonitrile?

The InChIKey is DBNUVQOXGGJLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c21-13-16-4-6-19(22-14-16)25-10-3-11-26-18(15-25)12-17(23-26)5-7-20(27)24-8-1-2-9-24/h4,6,12,14H,1-3,5,7-11,15H2.

What are the key properties of 6-[2-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]pyridine-3-carbonitrile?

6-[2-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]pyridine-3-carbonitrile has a molecular weight of 364.45 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 70747169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).