2-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C23H27N5O — CID 126863059

About 2-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 126863059) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
• PubChem CID: 126863059
• Molecular Formula: C23H27N5O
• Molecular Weight: 389.50 g/mol
• Exact Mass: 389.22
• IUPAC Name: 2-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
• SMILES: N#Cc1cc2c(nc1N1CCC(Cn3nc4c(cc3=O)CCCC4)CC1)CCC2
• InChI: InChI=1S/C23H27N5O/c24-14-19-12-17-5-3-7-20(17)25-23(19)27-10-8-16(9-11-27)15-28-22(29)13-18-4-1-2-6-21(18)26-28/h12-13,16H,1-11,15H2
• InChIKey: UPSNJLFLAAKDLJ-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 74.81 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.50
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?

The IUPAC name of 2-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 126863059) is 2-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

What is the SMILES notation for 2-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?

The canonical SMILES for 2-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is N#Cc1cc2c(nc1N1CCC(Cn3nc4c(cc3=O)CCCC4)CC1)CCC2.

What is the InChIKey of 2-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?

The InChIKey is UPSNJLFLAAKDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c24-14-19-12-17-5-3-7-20(17)25-23(19)27-10-8-16(9-11-27)15-28-22(29)13-18-4-1-2-6-21(18)26-28/h12-13,16H,1-11,15H2.

What are the key properties of 2-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?

2-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 389.50 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 126863059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).