(6-chloropyrazolo[1,5-a]pyridin-2-yl)-[3-(6-fluoro-3-pyridinyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C19H15ClFN7O — CID 68797509

About (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[3-(6-fluoro-3-pyridinyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

(6-chloropyrazolo[1,5-a]pyridin-2-yl)-[3-(6-fluoro-3-pyridinyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 68797509) has the molecular formula C19H15ClFN7O and a molecular weight of 411.83 g/mol. Its IUPAC name is (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[3-(6-fluoro-3-pyridinyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

• Compound Name: (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[3-(6-fluoro-3-pyridinyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
• PubChem CID: 68797509
• Molecular Formula: C19H15ClFN7O
• Molecular Weight: 411.83 g/mol
• Exact Mass: 411.10
• IUPAC Name: (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[3-(6-fluoro-3-pyridinyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
• SMILES: CC1c2nnc(-c3ccc(F)nc3)n2CCN1C(=O)c1cc2ccc(Cl)cn2n1
• InChI: InChI=1S/C19H15ClFN7O/c1-11-17-23-24-18(12-2-5-16(21)22-9-12)27(17)7-6-26(11)19(29)15-8-14-4-3-13(20)10-28(14)25-15/h2-5,8-11H,6-7H2,1H3
• InChIKey: OBOSELOBLIVSEM-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 81.21 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.83
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[3-(6-fluoro-3-pyridinyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?

The IUPAC name of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[3-(6-fluoro-3-pyridinyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 68797509) is (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[3-(6-fluoro-3-pyridinyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

What is the SMILES notation for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[3-(6-fluoro-3-pyridinyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?

The canonical SMILES for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[3-(6-fluoro-3-pyridinyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is CC1c2nnc(-c3ccc(F)nc3)n2CCN1C(=O)c1cc2ccc(Cl)cn2n1.

What is the InChIKey of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[3-(6-fluoro-3-pyridinyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?

The InChIKey is OBOSELOBLIVSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN7O/c1-11-17-23-24-18(12-2-5-16(21)22-9-12)27(17)7-6-26(11)19(29)15-8-14-4-3-13(20)10-28(14)25-15/h2-5,8-11H,6-7H2,1H3.

What are the key properties of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[3-(6-fluoro-3-pyridinyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?

(6-chloropyrazolo[1,5-a]pyridin-2-yl)-[3-(6-fluoro-3-pyridinyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 411.83 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[3-(6-fluoro-3-pyridinyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 68797509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).