tert-butyl N-[[3-[3-cyclopropyl-4-(1,4-dimethylpyrazolo[4,3-c]pyridin-6-yl)pyrazol-1-yl]cyclobutyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C29H40N6O4 — CID 176820205

About tert-butyl N-[[3-[3-cyclopropyl-4-(1,4-dimethylpyrazolo[4,3-c]pyridin-6-yl)pyrazol-1-yl]cyclobutyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-[[3-[3-cyclopropyl-4-(1,4-dimethylpyrazolo[4,3-c]pyridin-6-yl)pyrazol-1-yl]cyclobutyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 176820205) has the molecular formula C29H40N6O4 and a molecular weight of 536.68 g/mol. Its IUPAC name is tert-butyl N-[[3-[3-cyclopropyl-4-(1,4-dimethylpyrazolo[4,3-c]pyridin-6-yl)pyrazol-1-yl]cyclobutyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[[3-[3-cyclopropyl-4-(1,4-dimethylpyrazolo[4,3-c]pyridin-6-yl)pyrazol-1-yl]cyclobutyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
• PubChem CID: 176820205
• Molecular Formula: C29H40N6O4
• Molecular Weight: 536.68 g/mol
• Exact Mass: 536.31
• IUPAC Name: tert-butyl N-[[3-[3-cyclopropyl-4-(1,4-dimethylpyrazolo[4,3-c]pyridin-6-yl)pyrazol-1-yl]cyclobutyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
• SMILES: Cc1nc(-c2cn(C3CC(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C3)nc2C2CC2)cc2c1cnn2C
• InChI: InChI=1S/C29H40N6O4/c1-17-21-14-30-33(8)24(21)13-23(31-17)22-16-35(32-25(22)19-9-10-19)20-11-18(12-20)15-34(26(36)38-28(2,3)4)27(37)39-29(5,6)7/h13-14,16,18-20H,9-12,15H2,1-8H3
• InChIKey: ONRASOQWCKZBLF-UHFFFAOYSA-N
• XLogP: 6.14
• TPSA: 104.37 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.68
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-[3-cyclopropyl-4-(1,4-dimethylpyrazolo[4,3-c]pyridin-6-yl)pyrazol-1-yl]cyclobutyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?

The IUPAC name of tert-butyl N-[[3-[3-cyclopropyl-4-(1,4-dimethylpyrazolo[4,3-c]pyridin-6-yl)pyrazol-1-yl]cyclobutyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 176820205) is tert-butyl N-[[3-[3-cyclopropyl-4-(1,4-dimethylpyrazolo[4,3-c]pyridin-6-yl)pyrazol-1-yl]cyclobutyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

What is the SMILES notation for tert-butyl N-[[3-[3-cyclopropyl-4-(1,4-dimethylpyrazolo[4,3-c]pyridin-6-yl)pyrazol-1-yl]cyclobutyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?

The canonical SMILES for tert-butyl N-[[3-[3-cyclopropyl-4-(1,4-dimethylpyrazolo[4,3-c]pyridin-6-yl)pyrazol-1-yl]cyclobutyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is Cc1nc(-c2cn(C3CC(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C3)nc2C2CC2)cc2c1cnn2C.

What is the InChIKey of tert-butyl N-[[3-[3-cyclopropyl-4-(1,4-dimethylpyrazolo[4,3-c]pyridin-6-yl)pyrazol-1-yl]cyclobutyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?

The InChIKey is ONRASOQWCKZBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N6O4/c1-17-21-14-30-33(8)24(21)13-23(31-17)22-16-35(32-25(22)19-9-10-19)20-11-18(12-20)15-34(26(36)38-28(2,3)4)27(37)39-29(5,6)7/h13-14,16,18-20H,9-12,15H2,1-8H3.

What are the key properties of tert-butyl N-[[3-[3-cyclopropyl-4-(1,4-dimethylpyrazolo[4,3-c]pyridin-6-yl)pyrazol-1-yl]cyclobutyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?

tert-butyl N-[[3-[3-cyclopropyl-4-(1,4-dimethylpyrazolo[4,3-c]pyridin-6-yl)pyrazol-1-yl]cyclobutyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 536.68 g/mol, XLogP of 6.14, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[3-[3-cyclopropyl-4-(1,4-dimethylpyrazolo[4,3-c]pyridin-6-yl)pyrazol-1-yl]cyclobutyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 176820205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).