7-[6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methyl-2-pyridinyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyridine

C22H22ClFN6 — CID 137374208

About 7-[6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methyl-2-pyridinyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyridine

7-[6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methyl-2-pyridinyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 137374208) has the molecular formula C22H22ClFN6 and a molecular weight of 424.91 g/mol. Its IUPAC name is 7-[6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methyl-2-pyridinyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 7-[6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methyl-2-pyridinyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 137374208
• Molecular Formula: C22H22ClFN6
• Molecular Weight: 424.91 g/mol
• Exact Mass: 424.16
• IUPAC Name: 7-[6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methyl-2-pyridinyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: Cc1nc2cc(-c3nc(Cl)c(C)cc3-c3cnn(CC4(F)CCCC4)c3)ccn2n1
• InChI: InChI=1S/C22H22ClFN6/c1-14-9-18(17-11-25-29(12-17)13-22(24)6-3-4-7-22)20(27-21(14)23)16-5-8-30-19(10-16)26-15(2)28-30/h5,8-12H,3-4,6-7,13H2,1-2H3
• InChIKey: GPBROAYKFCRYRM-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 60.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.91
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methyl-2-pyridinyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of 7-[6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methyl-2-pyridinyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyridine (CID 137374208) is 7-[6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methyl-2-pyridinyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for 7-[6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methyl-2-pyridinyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for 7-[6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methyl-2-pyridinyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1nc2cc(-c3nc(Cl)c(C)cc3-c3cnn(CC4(F)CCCC4)c3)ccn2n1.

What is the InChIKey of 7-[6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methyl-2-pyridinyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is GPBROAYKFCRYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN6/c1-14-9-18(17-11-25-29(12-17)13-22(24)6-3-4-7-22)20(27-21(14)23)16-5-8-30-19(10-16)26-15(2)28-30/h5,8-12H,3-4,6-7,13H2,1-2H3.

What are the key properties of 7-[6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methyl-2-pyridinyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyridine?

7-[6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methyl-2-pyridinyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 424.91 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methyl-2-pyridinyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 137374208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).