3-amino-5-(1-methylpyrazol-3-yl)-N-(pyridin-3-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide

C24H20N8O — CID 154604735

About 3-amino-5-(1-methylpyrazol-3-yl)-N-(pyridin-3-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide

3-amino-5-(1-methylpyrazol-3-yl)-N-(pyridin-3-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 154604735) has the molecular formula C24H20N8O and a molecular weight of 436.48 g/mol. Its IUPAC name is 3-amino-5-(1-methylpyrazol-3-yl)-N-(pyridin-3-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-5-(1-methylpyrazol-3-yl)-N-(pyridin-3-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide
• PubChem CID: 154604735
• Molecular Formula: C24H20N8O
• Molecular Weight: 436.48 g/mol
• Exact Mass: 436.18
• IUPAC Name: 3-amino-5-(1-methylpyrazol-3-yl)-N-(pyridin-3-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide
• SMILES: Cn1ccc(-c2nc(N)c(C(=O)NCc3cccnc3)nc2-c2ccc3ncccc3c2)n1
• InChI: InChI=1S/C24H20N8O/c1-32-11-8-19(31-32)21-20(17-6-7-18-16(12-17)5-3-10-27-18)29-22(23(25)30-21)24(33)28-14-15-4-2-9-26-13-15/h2-13H,14H2,1H3,(H2,25,30)(H,28,33)
• InChIKey: OPGYPQASTUGSEP-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 124.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.48
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(1-methylpyrazol-3-yl)-N-(pyridin-3-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide?

The IUPAC name of 3-amino-5-(1-methylpyrazol-3-yl)-N-(pyridin-3-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide (CID 154604735) is 3-amino-5-(1-methylpyrazol-3-yl)-N-(pyridin-3-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-5-(1-methylpyrazol-3-yl)-N-(pyridin-3-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide?

The canonical SMILES for 3-amino-5-(1-methylpyrazol-3-yl)-N-(pyridin-3-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide is Cn1ccc(-c2nc(N)c(C(=O)NCc3cccnc3)nc2-c2ccc3ncccc3c2)n1.

What is the InChIKey of 3-amino-5-(1-methylpyrazol-3-yl)-N-(pyridin-3-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide?

The InChIKey is OPGYPQASTUGSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8O/c1-32-11-8-19(31-32)21-20(17-6-7-18-16(12-17)5-3-10-27-18)29-22(23(25)30-21)24(33)28-14-15-4-2-9-26-13-15/h2-13H,14H2,1H3,(H2,25,30)(H,28,33).

What are the key properties of 3-amino-5-(1-methylpyrazol-3-yl)-N-(pyridin-3-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide?

3-amino-5-(1-methylpyrazol-3-yl)-N-(pyridin-3-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide has a molecular weight of 436.48 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-5-(1-methylpyrazol-3-yl)-N-(pyridin-3-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 154604735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).