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

C30H39N5O2 — CID 166525327

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

N-[1-[[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]cyclopropyl]-N-methylacetamide (PubChem CID 166525327) has the molecular formula C30H39N5O2 and a molecular weight of 501.68 g/mol. Its IUPAC name is N-[1-[[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]cyclopropyl]-N-methylacetamide.

Molecular Properties

• Compound Name: N-[1-[[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]cyclopropyl]-N-methylacetamide
• PubChem CID: 166525327
• Molecular Formula: C30H39N5O2
• Molecular Weight: 501.68 g/mol
• Exact Mass: 501.31
• IUPAC Name: N-[1-[[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]cyclopropyl]-N-methylacetamide
• SMILES: CC(=O)N(C)C1(Cc2cc(-c3cncc([C@@](O)(c4ccc(C(C)C)cc4)C4(C)CN(C)C4)c3)n[nH]2)CC1
• InChI: InChI=1S/C30H39N5O2/c1-20(2)22-7-9-24(10-8-22)30(37,28(4)18-34(5)19-28)25-13-23(16-31-17-25)27-14-26(32-33-27)15-29(11-12-29)35(6)21(3)36/h7-10,13-14,16-17,20,37H,11-12,15,18-19H2,1-6H3,(H,32,33)/t30-/m0/s1
• InChIKey: PYUPCCUTTOQEFO-PMERELPUSA-N
• XLogP: 4.34
• TPSA: 85.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.68
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[1-[[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]cyclopropyl]-N-methylacetamide (CID 166525327) is N-[1-[[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]cyclopropyl]-N-methylacetamide.

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

The canonical SMILES for N-[1-[[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]cyclopropyl]-N-methylacetamide is CC(=O)N(C)C1(Cc2cc(-c3cncc([C@@](O)(c4ccc(C(C)C)cc4)C4(C)CN(C)C4)c3)n[nH]2)CC1.

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

The InChIKey is PYUPCCUTTOQEFO-PMERELPUSA-N. The full InChI is InChI=1S/C30H39N5O2/c1-20(2)22-7-9-24(10-8-22)30(37,28(4)18-34(5)19-28)25-13-23(16-31-17-25)27-14-26(32-33-27)15-29(11-12-29)35(6)21(3)36/h7-10,13-14,16-17,20,37H,11-12,15,18-19H2,1-6H3,(H,32,33)/t30-/m0/s1.

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

N-[1-[[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]cyclopropyl]-N-methylacetamide has a molecular weight of 501.68 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]cyclopropyl]-N-methylacetamide is sourced from PubChem (CID 166525327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).