(1-cyclopropyl-3-methylazetidin-3-yl)-[5-[1-cyclopropyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol

C32H41N5O2 — CID 170161793

About (1-cyclopropyl-3-methylazetidin-3-yl)-[5-[1-cyclopropyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol

(1-cyclopropyl-3-methylazetidin-3-yl)-[5-[1-cyclopropyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol (PubChem CID 170161793) has the molecular formula C32H41N5O2 and a molecular weight of 527.71 g/mol. Its IUPAC name is (1-cyclopropyl-3-methylazetidin-3-yl)-[5-[1-cyclopropyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol.

Molecular Properties

• Compound Name: (1-cyclopropyl-3-methylazetidin-3-yl)-[5-[1-cyclopropyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
• PubChem CID: 170161793
• Molecular Formula: C32H41N5O2
• Molecular Weight: 527.71 g/mol
• Exact Mass: 527.33
• IUPAC Name: (1-cyclopropyl-3-methylazetidin-3-yl)-[5-[1-cyclopropyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
• SMILES: CC(C)c1ccc(C(O)(c2cncc(-c3nc(C4CCOCC4)n(C4CC4)n3)c2)C2(C)CN(C3CC3)C2)cc1
• InChI: InChI=1S/C32H41N5O2/c1-21(2)22-4-6-25(7-5-22)32(38,31(3)19-36(20-31)27-8-9-27)26-16-24(17-33-18-26)29-34-30(23-12-14-39-15-13-23)37(35-29)28-10-11-28/h4-7,16-18,21,23,27-28,38H,8-15,19-20H2,1-3H3
• InChIKey: LUIGMFQQYZMTPF-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 76.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.71
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropyl-3-methylazetidin-3-yl)-[5-[1-cyclopropyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol?

The IUPAC name of (1-cyclopropyl-3-methylazetidin-3-yl)-[5-[1-cyclopropyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol (CID 170161793) is (1-cyclopropyl-3-methylazetidin-3-yl)-[5-[1-cyclopropyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol.

What is the SMILES notation for (1-cyclopropyl-3-methylazetidin-3-yl)-[5-[1-cyclopropyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol?

The canonical SMILES for (1-cyclopropyl-3-methylazetidin-3-yl)-[5-[1-cyclopropyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol is CC(C)c1ccc(C(O)(c2cncc(-c3nc(C4CCOCC4)n(C4CC4)n3)c2)C2(C)CN(C3CC3)C2)cc1.

What is the InChIKey of (1-cyclopropyl-3-methylazetidin-3-yl)-[5-[1-cyclopropyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol?

The InChIKey is LUIGMFQQYZMTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N5O2/c1-21(2)22-4-6-25(7-5-22)32(38,31(3)19-36(20-31)27-8-9-27)26-16-24(17-33-18-26)29-34-30(23-12-14-39-15-13-23)37(35-29)28-10-11-28/h4-7,16-18,21,23,27-28,38H,8-15,19-20H2,1-3H3.

What are the key properties of (1-cyclopropyl-3-methylazetidin-3-yl)-[5-[1-cyclopropyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol?

(1-cyclopropyl-3-methylazetidin-3-yl)-[5-[1-cyclopropyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol has a molecular weight of 527.71 g/mol, XLogP of 5.41, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1-cyclopropyl-3-methylazetidin-3-yl)-[5-[1-cyclopropyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol is sourced from PubChem (CID 170161793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).