tert-butyl N-[[3-[3-(dimethylcarbamoyl)-4-(6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C27H39N5O5 — CID 169092567

About tert-butyl N-[[3-[3-(dimethylcarbamoyl)-4-(6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-[[3-[3-(dimethylcarbamoyl)-4-(6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 169092567) has the molecular formula C27H39N5O5 and a molecular weight of 513.64 g/mol. Its IUPAC name is tert-butyl N-[[3-[3-(dimethylcarbamoyl)-4-(6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[[3-[3-(dimethylcarbamoyl)-4-(6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
• PubChem CID: 169092567
• Molecular Formula: C27H39N5O5
• Molecular Weight: 513.64 g/mol
• Exact Mass: 513.30
• IUPAC Name: tert-butyl N-[[3-[3-(dimethylcarbamoyl)-4-(6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
• SMILES: Cc1cccc(-c2cn(C3CC(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C3)nc2C(=O)N(C)C)n1
• InChI: InChI=1S/C27H39N5O5/c1-17-11-10-12-21(28-17)20-16-32(29-22(20)23(33)30(8)9)19-13-18(14-19)15-31(24(34)36-26(2,3)4)25(35)37-27(5,6)7/h10-12,16,18-19H,13-15H2,1-9H3
• InChIKey: DSUVZWMBABXDPE-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 106.86 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.64
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-[3-(dimethylcarbamoyl)-4-(6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?

The IUPAC name of tert-butyl N-[[3-[3-(dimethylcarbamoyl)-4-(6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 169092567) is tert-butyl N-[[3-[3-(dimethylcarbamoyl)-4-(6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

What is the SMILES notation for tert-butyl N-[[3-[3-(dimethylcarbamoyl)-4-(6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?

The canonical SMILES for tert-butyl N-[[3-[3-(dimethylcarbamoyl)-4-(6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is Cc1cccc(-c2cn(C3CC(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C3)nc2C(=O)N(C)C)n1.

What is the InChIKey of tert-butyl N-[[3-[3-(dimethylcarbamoyl)-4-(6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?

The InChIKey is DSUVZWMBABXDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N5O5/c1-17-11-10-12-21(28-17)20-16-32(29-22(20)23(33)30(8)9)19-13-18(14-19)15-31(24(34)36-26(2,3)4)25(35)37-27(5,6)7/h10-12,16,18-19H,13-15H2,1-9H3.

What are the key properties of tert-butyl N-[[3-[3-(dimethylcarbamoyl)-4-(6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?

tert-butyl N-[[3-[3-(dimethylcarbamoyl)-4-(6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 513.64 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[3-[3-(dimethylcarbamoyl)-4-(6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 169092567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).