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

C20H19N9O — CID 160576900

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

N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-1-methylimidazole-4-carboxamide (PubChem CID 160576900) has the molecular formula C20H19N9O and a molecular weight of 401.43 g/mol. Its IUPAC name is N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-1-methylimidazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-1-methylimidazole-4-carboxamide
• PubChem CID: 160576900
• Molecular Formula: C20H19N9O
• Molecular Weight: 401.43 g/mol
• Exact Mass: 401.17
• IUPAC Name: N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-1-methylimidazole-4-carboxamide
• SMILES: Cn1cnc(C(=O)NCCn2cc3c(n2)c(N)nc2cc(-c4ccn[nH]4)ccc23)c1
• InChI: InChI=1S/C20H19N9O/c1-28-10-17(23-11-28)20(30)22-6-7-29-9-14-13-3-2-12(15-4-5-24-26-15)8-16(13)25-19(21)18(14)27-29/h2-5,8-11H,6-7H2,1H3,(H2,21,25)(H,22,30)(H,24,26)
• InChIKey: RBGPROSSSNDZQN-UHFFFAOYSA-N
• XLogP: 1.72
• TPSA: 132.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.43
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-1-methylimidazole-4-carboxamide (CID 160576900) is N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-1-methylimidazole-4-carboxamide.

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

The canonical SMILES for N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-1-methylimidazole-4-carboxamide is Cn1cnc(C(=O)NCCn2cc3c(n2)c(N)nc2cc(-c4ccn[nH]4)ccc23)c1.

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

The InChIKey is RBGPROSSSNDZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N9O/c1-28-10-17(23-11-28)20(30)22-6-7-29-9-14-13-3-2-12(15-4-5-24-26-15)8-16(13)25-19(21)18(14)27-29/h2-5,8-11H,6-7H2,1H3,(H2,21,25)(H,22,30)(H,24,26).

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

N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-1-methylimidazole-4-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 160576900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).