2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(pyridin-2-ylmethyl)propanamide

C22H20N8O — CID 175627878

About 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(pyridin-2-ylmethyl)propanamide

2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 175627878) has the molecular formula C22H20N8O and a molecular weight of 412.46 g/mol. Its IUPAC name is 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

• Compound Name: 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(pyridin-2-ylmethyl)propanamide
• PubChem CID: 175627878
• Molecular Formula: C22H20N8O
• Molecular Weight: 412.46 g/mol
• Exact Mass: 412.18
• IUPAC Name: 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(pyridin-2-ylmethyl)propanamide
• SMILES: CC(C(=O)NCc1ccccn1)n1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1
• InChI: InChI=1S/C22H20N8O/c1-13(22(31)25-11-15-4-2-3-8-24-15)30-12-17-20(29-30)16-6-5-14(18-7-9-26-28-18)10-19(16)27-21(17)23/h2-10,12-13H,11H2,1H3,(H2,23,27)(H,25,31)(H,26,28)
• InChIKey: ZIWSWWLKNDYEDI-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 127.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.46
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(pyridin-2-ylmethyl)propanamide?

The IUPAC name of 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(pyridin-2-ylmethyl)propanamide (CID 175627878) is 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(pyridin-2-ylmethyl)propanamide.

What is the SMILES notation for 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(pyridin-2-ylmethyl)propanamide?

The canonical SMILES for 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(pyridin-2-ylmethyl)propanamide is CC(C(=O)NCc1ccccn1)n1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1.

What is the InChIKey of 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(pyridin-2-ylmethyl)propanamide?

The InChIKey is ZIWSWWLKNDYEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8O/c1-13(22(31)25-11-15-4-2-3-8-24-15)30-12-17-20(29-30)16-6-5-14(18-7-9-26-28-18)10-19(16)27-21(17)23/h2-10,12-13H,11H2,1H3,(H2,23,27)(H,25,31)(H,26,28).

What are the key properties of 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(pyridin-2-ylmethyl)propanamide?

2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 412.46 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 175627878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).