N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-2-yl]ethyl]pyridine-2-carboxamide

C22H19N7O — CID 149442222

About N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-2-yl]ethyl]pyridine-2-carboxamide

N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-2-yl]ethyl]pyridine-2-carboxamide (PubChem CID 149442222) has the molecular formula C22H19N7O and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-2-yl]ethyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-2-yl]ethyl]pyridine-2-carboxamide
• PubChem CID: 149442222
• Molecular Formula: C22H19N7O
• Molecular Weight: 397.44 g/mol
• Exact Mass: 397.17
• IUPAC Name: N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-2-yl]ethyl]pyridine-2-carboxamide
• SMILES: Nc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCNC(=O)c3ccccn3)cc12
• InChI: InChI=1S/C22H19N7O/c23-21-17-13-29(10-9-25-22(30)19-3-1-2-7-24-19)12-16(17)15-5-4-14(11-20(15)27-21)18-6-8-26-28-18/h1-8,11-13H,9-10H2,(H2,23,27)(H,25,30)(H,26,28)
• InChIKey: YVZCDBKAPFZKCO-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 114.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.44
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-2-yl]ethyl]pyridine-2-carboxamide?

The IUPAC name of N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-2-yl]ethyl]pyridine-2-carboxamide (CID 149442222) is N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-2-yl]ethyl]pyridine-2-carboxamide.

What is the SMILES notation for N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-2-yl]ethyl]pyridine-2-carboxamide?

The canonical SMILES for N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-2-yl]ethyl]pyridine-2-carboxamide is Nc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCNC(=O)c3ccccn3)cc12.

What is the InChIKey of N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-2-yl]ethyl]pyridine-2-carboxamide?

The InChIKey is YVZCDBKAPFZKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O/c23-21-17-13-29(10-9-25-22(30)19-3-1-2-7-24-19)12-16(17)15-5-4-14(11-20(15)27-21)18-6-8-26-28-18/h1-8,11-13H,9-10H2,(H2,23,27)(H,25,30)(H,26,28).

What are the key properties of N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-2-yl]ethyl]pyridine-2-carboxamide?

N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-2-yl]ethyl]pyridine-2-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-2-yl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 149442222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).