3-methyl-5-[4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]phenyl]pyridine-2-carboxamide

C30H23N7O — CID 118467399

About 3-methyl-5-[4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]phenyl]pyridine-2-carboxamide

3-methyl-5-[4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]phenyl]pyridine-2-carboxamide (PubChem CID 118467399) has the molecular formula C30H23N7O and a molecular weight of 497.56 g/mol. Its IUPAC name is 3-methyl-5-[4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-5-[4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]phenyl]pyridine-2-carboxamide
• PubChem CID: 118467399
• Molecular Formula: C30H23N7O
• Molecular Weight: 497.56 g/mol
• Exact Mass: 497.20
• IUPAC Name: 3-methyl-5-[4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]phenyl]pyridine-2-carboxamide
• SMILES: Cc1cc(-c2ccc(-c3cnc4ncc(C5(c6ccc7ncccc7c6)CC5)n4n3)cc2)cnc1C(N)=O
• InChI: InChI=1S/C30H23N7O/c1-18-13-22(15-33-27(18)28(31)38)19-4-6-20(7-5-19)25-16-34-29-35-17-26(37(29)36-25)30(10-11-30)23-8-9-24-21(14-23)3-2-12-32-24/h2-9,12-17H,10-11H2,1H3,(H2,31,38)
• InChIKey: JJPJCNCGIAAFPL-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 111.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.56
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]phenyl]pyridine-2-carboxamide?

The IUPAC name of 3-methyl-5-[4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]phenyl]pyridine-2-carboxamide (CID 118467399) is 3-methyl-5-[4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]phenyl]pyridine-2-carboxamide.

What is the SMILES notation for 3-methyl-5-[4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]phenyl]pyridine-2-carboxamide?

The canonical SMILES for 3-methyl-5-[4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]phenyl]pyridine-2-carboxamide is Cc1cc(-c2ccc(-c3cnc4ncc(C5(c6ccc7ncccc7c6)CC5)n4n3)cc2)cnc1C(N)=O.

What is the InChIKey of 3-methyl-5-[4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]phenyl]pyridine-2-carboxamide?

The InChIKey is JJPJCNCGIAAFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N7O/c1-18-13-22(15-33-27(18)28(31)38)19-4-6-20(7-5-19)25-16-34-29-35-17-26(37(29)36-25)30(10-11-30)23-8-9-24-21(14-23)3-2-12-32-24/h2-9,12-17H,10-11H2,1H3,(H2,31,38).

What are the key properties of 3-methyl-5-[4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]phenyl]pyridine-2-carboxamide?

3-methyl-5-[4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 497.56 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-5-[4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 118467399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).