(R)-[5-[5-[(R)-cyclohexyl(hydroxy)methyl]-1H-pyrazol-3-yl]-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol

C30H40N4O2 — CID 166525428

About (R)-[5-[5-[(R)-cyclohexyl(hydroxy)methyl]-1H-pyrazol-3-yl]-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol

(R)-[5-[5-[(R)-cyclohexyl(hydroxy)methyl]-1H-pyrazol-3-yl]-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol (PubChem CID 166525428) has the molecular formula C30H40N4O2 and a molecular weight of 488.68 g/mol. Its IUPAC name is (R)-[5-[5-[(R)-cyclohexyl(hydroxy)methyl]-1H-pyrazol-3-yl]-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol.

Molecular Properties

• Compound Name: (R)-[5-[5-[(R)-cyclohexyl(hydroxy)methyl]-1H-pyrazol-3-yl]-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol
• PubChem CID: 166525428
• Molecular Formula: C30H40N4O2
• Molecular Weight: 488.68 g/mol
• Exact Mass: 488.32
• IUPAC Name: (R)-[5-[5-[(R)-cyclohexyl(hydroxy)methyl]-1H-pyrazol-3-yl]-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol
• SMILES: CC(C)c1ccc([C@](O)(c2cncc(-c3cc([C@H](O)C4CCCCC4)[nH]n3)c2)C2(C)CN(C)C2)cc1
• InChI: InChI=1S/C30H40N4O2/c1-20(2)21-10-12-24(13-11-21)30(36,29(3)18-34(4)19-29)25-14-23(16-31-17-25)26-15-27(33-32-26)28(35)22-8-6-5-7-9-22/h10-17,20,22,28,35-36H,5-9,18-19H2,1-4H3,(H,32,33)/t28-,30+/m1/s1
• InChIKey: FMXWXFIVYDOWLL-DGPALRBDSA-N
• XLogP: 5.40
• TPSA: 85.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.68
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (R)-[5-[5-[(R)-cyclohexyl(hydroxy)methyl]-1H-pyrazol-3-yl]-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol?

The IUPAC name of (R)-[5-[5-[(R)-cyclohexyl(hydroxy)methyl]-1H-pyrazol-3-yl]-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol (CID 166525428) is (R)-[5-[5-[(R)-cyclohexyl(hydroxy)methyl]-1H-pyrazol-3-yl]-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol.

What is the SMILES notation for (R)-[5-[5-[(R)-cyclohexyl(hydroxy)methyl]-1H-pyrazol-3-yl]-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol?

The canonical SMILES for (R)-[5-[5-[(R)-cyclohexyl(hydroxy)methyl]-1H-pyrazol-3-yl]-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol is CC(C)c1ccc([C@](O)(c2cncc(-c3cc([C@H](O)C4CCCCC4)[nH]n3)c2)C2(C)CN(C)C2)cc1.

What is the InChIKey of (R)-[5-[5-[(R)-cyclohexyl(hydroxy)methyl]-1H-pyrazol-3-yl]-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol?

The InChIKey is FMXWXFIVYDOWLL-DGPALRBDSA-N. The full InChI is InChI=1S/C30H40N4O2/c1-20(2)21-10-12-24(13-11-21)30(36,29(3)18-34(4)19-29)25-14-23(16-31-17-25)26-15-27(33-32-26)28(35)22-8-6-5-7-9-22/h10-17,20,22,28,35-36H,5-9,18-19H2,1-4H3,(H,32,33)/t28-,30+/m1/s1.

What are the key properties of (R)-[5-[5-[(R)-cyclohexyl(hydroxy)methyl]-1H-pyrazol-3-yl]-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol?

(R)-[5-[5-[(R)-cyclohexyl(hydroxy)methyl]-1H-pyrazol-3-yl]-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol has a molecular weight of 488.68 g/mol, XLogP of 5.40, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-[5-[5-[(R)-cyclohexyl(hydroxy)methyl]-1H-pyrazol-3-yl]-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol is sourced from PubChem (CID 166525428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).