N-[6-(2-cyanospiro[2.2]pentan-2-yl)isoquinolin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide

C24H20N4O — CID 172536672

About N-[6-(2-cyanospiro[2.2]pentan-2-yl)isoquinolin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide

N-[6-(2-cyanospiro[2.2]pentan-2-yl)isoquinolin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide (PubChem CID 172536672) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[6-(2-cyanospiro[2.2]pentan-2-yl)isoquinolin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[6-(2-cyanospiro[2.2]pentan-2-yl)isoquinolin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
• PubChem CID: 172536672
• Molecular Formula: C24H20N4O
• Molecular Weight: 380.45 g/mol
• Exact Mass: 380.16
• IUPAC Name: N-[6-(2-cyanospiro[2.2]pentan-2-yl)isoquinolin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
• SMILES: N#CC1(c2ccc3cnc(NC(=O)C4CC4c4cccnc4)cc3c2)CC12CC2
• InChI: InChI=1S/C24H20N4O/c25-14-24(13-23(24)5-6-23)18-4-3-15-12-27-21(9-17(15)8-18)28-22(29)20-10-19(20)16-2-1-7-26-11-16/h1-4,7-9,11-12,19-20H,5-6,10,13H2,(H,27,28,29)
• InChIKey: YAOIEAGZYKGZSU-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 78.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.45
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-cyanospiro[2.2]pentan-2-yl)isoquinolin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide?

The IUPAC name of N-[6-(2-cyanospiro[2.2]pentan-2-yl)isoquinolin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide (CID 172536672) is N-[6-(2-cyanospiro[2.2]pentan-2-yl)isoquinolin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide.

What is the SMILES notation for N-[6-(2-cyanospiro[2.2]pentan-2-yl)isoquinolin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide?

The canonical SMILES for N-[6-(2-cyanospiro[2.2]pentan-2-yl)isoquinolin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide is N#CC1(c2ccc3cnc(NC(=O)C4CC4c4cccnc4)cc3c2)CC12CC2.

What is the InChIKey of N-[6-(2-cyanospiro[2.2]pentan-2-yl)isoquinolin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide?

The InChIKey is YAOIEAGZYKGZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O/c25-14-24(13-23(24)5-6-23)18-4-3-15-12-27-21(9-17(15)8-18)28-22(29)20-10-19(20)16-2-1-7-26-11-16/h1-4,7-9,11-12,19-20H,5-6,10,13H2,(H,27,28,29).

What are the key properties of N-[6-(2-cyanospiro[2.2]pentan-2-yl)isoquinolin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide?

N-[6-(2-cyanospiro[2.2]pentan-2-yl)isoquinolin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(2-cyanospiro[2.2]pentan-2-yl)isoquinolin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 172536672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).