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

C29H39N5O — CID 166525260

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

(R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(4-methylpiperidin-4-yl)-1H-pyrazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol (PubChem CID 166525260) has the molecular formula C29H39N5O and a molecular weight of 473.67 g/mol. Its IUPAC name is (R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(4-methylpiperidin-4-yl)-1H-pyrazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol.

Molecular Properties

• Compound Name: (R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(4-methylpiperidin-4-yl)-1H-pyrazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
• PubChem CID: 166525260
• Molecular Formula: C29H39N5O
• Molecular Weight: 473.67 g/mol
• Exact Mass: 473.32
• IUPAC Name: (R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(4-methylpiperidin-4-yl)-1H-pyrazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
• SMILES: CC(C)c1ccc([C@](O)(c2cncc(-c3cc(C4(C)CCNCC4)[nH]n3)c2)C2(C)CN(C)C2)cc1
• InChI: InChI=1S/C29H39N5O/c1-20(2)21-6-8-23(9-7-21)29(35,28(4)18-34(5)19-28)24-14-22(16-31-17-24)25-15-26(33-32-25)27(3)10-12-30-13-11-27/h6-9,14-17,20,30,35H,10-13,18-19H2,1-5H3,(H,32,33)/t29-/m0/s1
• InChIKey: MGIWFBYQGRIRKG-LJAQVGFWSA-N
• XLogP: 4.42
• TPSA: 77.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.67
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(4-methylpiperidin-4-yl)-1H-pyrazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol (CID 166525260) is (R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(4-methylpiperidin-4-yl)-1H-pyrazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol.

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

The canonical SMILES for (R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(4-methylpiperidin-4-yl)-1H-pyrazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol is CC(C)c1ccc([C@](O)(c2cncc(-c3cc(C4(C)CCNCC4)[nH]n3)c2)C2(C)CN(C)C2)cc1.

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

The InChIKey is MGIWFBYQGRIRKG-LJAQVGFWSA-N. The full InChI is InChI=1S/C29H39N5O/c1-20(2)21-6-8-23(9-7-21)29(35,28(4)18-34(5)19-28)24-14-22(16-31-17-24)25-15-26(33-32-25)27(3)10-12-30-13-11-27/h6-9,14-17,20,30,35H,10-13,18-19H2,1-5H3,(H,32,33)/t29-/m0/s1.

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

(R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(4-methylpiperidin-4-yl)-1H-pyrazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol has a molecular weight of 473.67 g/mol, XLogP of 4.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(4-methylpiperidin-4-yl)-1H-pyrazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol is sourced from PubChem (CID 166525260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).