8-chloro-3-(cyclopropylmethyl)-7-[4-[(2-cyclopropyl-4-pyridinyl)oxy]-3-fluorophenyl]-[1,2,4]triazolo[4,3-a]pyridine

C24H20ClFN4O — CID 66785182

About 8-chloro-3-(cyclopropylmethyl)-7-[4-[(2-cyclopropyl-4-pyridinyl)oxy]-3-fluorophenyl]-[1,2,4]triazolo[4,3-a]pyridine

8-chloro-3-(cyclopropylmethyl)-7-[4-[(2-cyclopropyl-4-pyridinyl)oxy]-3-fluorophenyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 66785182) has the molecular formula C24H20ClFN4O and a molecular weight of 434.90 g/mol. Its IUPAC name is 8-chloro-3-(cyclopropylmethyl)-7-[4-[(2-cyclopropyl-4-pyridinyl)oxy]-3-fluorophenyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

• Compound Name: 8-chloro-3-(cyclopropylmethyl)-7-[4-[(2-cyclopropyl-4-pyridinyl)oxy]-3-fluorophenyl]-[1,2,4]triazolo[4,3-a]pyridine
• PubChem CID: 66785182
• Molecular Formula: C24H20ClFN4O
• Molecular Weight: 434.90 g/mol
• Exact Mass: 434.13
• IUPAC Name: 8-chloro-3-(cyclopropylmethyl)-7-[4-[(2-cyclopropyl-4-pyridinyl)oxy]-3-fluorophenyl]-[1,2,4]triazolo[4,3-a]pyridine
• SMILES: Fc1cc(-c2ccn3c(CC4CC4)nnc3c2Cl)ccc1Oc1ccnc(C2CC2)c1
• InChI: InChI=1S/C24H20ClFN4O/c25-23-18(8-10-30-22(11-14-1-2-14)28-29-24(23)30)16-5-6-21(19(26)12-16)31-17-7-9-27-20(13-17)15-3-4-15/h5-10,12-15H,1-4,11H2
• InChIKey: LIULOGPHLPGDQS-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 52.31 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.90
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(cyclopropylmethyl)-7-[4-[(2-cyclopropyl-4-pyridinyl)oxy]-3-fluorophenyl]-[1,2,4]triazolo[4,3-a]pyridine?

The IUPAC name of 8-chloro-3-(cyclopropylmethyl)-7-[4-[(2-cyclopropyl-4-pyridinyl)oxy]-3-fluorophenyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 66785182) is 8-chloro-3-(cyclopropylmethyl)-7-[4-[(2-cyclopropyl-4-pyridinyl)oxy]-3-fluorophenyl]-[1,2,4]triazolo[4,3-a]pyridine.

What is the SMILES notation for 8-chloro-3-(cyclopropylmethyl)-7-[4-[(2-cyclopropyl-4-pyridinyl)oxy]-3-fluorophenyl]-[1,2,4]triazolo[4,3-a]pyridine?

The canonical SMILES for 8-chloro-3-(cyclopropylmethyl)-7-[4-[(2-cyclopropyl-4-pyridinyl)oxy]-3-fluorophenyl]-[1,2,4]triazolo[4,3-a]pyridine is Fc1cc(-c2ccn3c(CC4CC4)nnc3c2Cl)ccc1Oc1ccnc(C2CC2)c1.

What is the InChIKey of 8-chloro-3-(cyclopropylmethyl)-7-[4-[(2-cyclopropyl-4-pyridinyl)oxy]-3-fluorophenyl]-[1,2,4]triazolo[4,3-a]pyridine?

The InChIKey is LIULOGPHLPGDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O/c25-23-18(8-10-30-22(11-14-1-2-14)28-29-24(23)30)16-5-6-21(19(26)12-16)31-17-7-9-27-20(13-17)15-3-4-15/h5-10,12-15H,1-4,11H2.

What are the key properties of 8-chloro-3-(cyclopropylmethyl)-7-[4-[(2-cyclopropyl-4-pyridinyl)oxy]-3-fluorophenyl]-[1,2,4]triazolo[4,3-a]pyridine?

8-chloro-3-(cyclopropylmethyl)-7-[4-[(2-cyclopropyl-4-pyridinyl)oxy]-3-fluorophenyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 434.90 g/mol, XLogP of 6.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-3-(cyclopropylmethyl)-7-[4-[(2-cyclopropyl-4-pyridinyl)oxy]-3-fluorophenyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 66785182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).