5-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[2-cyclopropyl-1-[4-(5-fluoro-3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]pyridine

C23H19ClF2N10 — CID 167422525

About 5-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[2-cyclopropyl-1-[4-(5-fluoro-3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]pyridine

5-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[2-cyclopropyl-1-[4-(5-fluoro-3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]pyridine (PubChem CID 167422525) has the molecular formula C23H19ClF2N10 and a molecular weight of 508.92 g/mol. Its IUPAC name is 5-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[2-cyclopropyl-1-[4-(5-fluoro-3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]pyridine.

Molecular Properties

• Compound Name: 5-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[2-cyclopropyl-1-[4-(5-fluoro-3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]pyridine
• PubChem CID: 167422525
• Molecular Formula: C23H19ClF2N10
• Molecular Weight: 508.92 g/mol
• Exact Mass: 508.15
• IUPAC Name: 5-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[2-cyclopropyl-1-[4-(5-fluoro-3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]pyridine
• SMILES: Cn1nnc(F)c1-c1cnn(C(CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)cn2)c1
• InChI: InChI=1S/C23H19ClF2N10/c1-34-22(23(26)30-32-34)15-10-29-35(11-15)19(8-13-2-3-13)17-6-4-14(9-27-17)20-18(36-12-28-31-33-36)7-5-16(24)21(20)25/h4-7,9-13,19H,2-3,8H2,1H3
• InChIKey: QVOKQDYTHFWZQN-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 105.02 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.92
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[2-cyclopropyl-1-[4-(5-fluoro-3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]pyridine?

The IUPAC name of 5-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[2-cyclopropyl-1-[4-(5-fluoro-3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]pyridine (CID 167422525) is 5-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[2-cyclopropyl-1-[4-(5-fluoro-3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]pyridine.

What is the SMILES notation for 5-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[2-cyclopropyl-1-[4-(5-fluoro-3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]pyridine?

The canonical SMILES for 5-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[2-cyclopropyl-1-[4-(5-fluoro-3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]pyridine is Cn1nnc(F)c1-c1cnn(C(CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)cn2)c1.

What is the InChIKey of 5-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[2-cyclopropyl-1-[4-(5-fluoro-3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]pyridine?

The InChIKey is QVOKQDYTHFWZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF2N10/c1-34-22(23(26)30-32-34)15-10-29-35(11-15)19(8-13-2-3-13)17-6-4-14(9-27-17)20-18(36-12-28-31-33-36)7-5-16(24)21(20)25/h4-7,9-13,19H,2-3,8H2,1H3.

What are the key properties of 5-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[2-cyclopropyl-1-[4-(5-fluoro-3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]pyridine?

5-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[2-cyclopropyl-1-[4-(5-fluoro-3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]pyridine has a molecular weight of 508.92 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[2-cyclopropyl-1-[4-(5-fluoro-3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]pyridine is sourced from PubChem (CID 167422525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).