methyl N-tert-butyl-N-[3-[3-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-3-methylcyclobutyl]carbamate

C24H32N6O3 — CID 163302027

About methyl N-tert-butyl-N-[3-[3-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-3-methylcyclobutyl]carbamate

methyl N-tert-butyl-N-[3-[3-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-3-methylcyclobutyl]carbamate (PubChem CID 163302027) has the molecular formula C24H32N6O3 and a molecular weight of 452.56 g/mol. Its IUPAC name is methyl N-tert-butyl-N-[3-[3-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-3-methylcyclobutyl]carbamate.

Molecular Properties

• Compound Name: methyl N-tert-butyl-N-[3-[3-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-3-methylcyclobutyl]carbamate
• PubChem CID: 163302027
• Molecular Formula: C24H32N6O3
• Molecular Weight: 452.56 g/mol
• Exact Mass: 452.25
• IUPAC Name: methyl N-tert-butyl-N-[3-[3-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-3-methylcyclobutyl]carbamate
• SMILES: COC(=O)N(C1CC(C)(Oc2nc(-c3cnn(C)c3)cn3ncc(C4CC4)c23)C1)C(C)(C)C
• InChI: InChI=1S/C24H32N6O3/c1-23(2,3)30(22(31)32-6)17-9-24(4,10-17)33-21-20-18(15-7-8-15)12-26-29(20)14-19(27-21)16-11-25-28(5)13-16/h11-15,17H,7-10H2,1-6H3
• InChIKey: VFCKCGNZCMBNRU-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 86.78 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.56
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl N-tert-butyl-N-[3-[3-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-3-methylcyclobutyl]carbamate?

The IUPAC name of methyl N-tert-butyl-N-[3-[3-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-3-methylcyclobutyl]carbamate (CID 163302027) is methyl N-tert-butyl-N-[3-[3-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-3-methylcyclobutyl]carbamate.

What is the SMILES notation for methyl N-tert-butyl-N-[3-[3-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-3-methylcyclobutyl]carbamate?

The canonical SMILES for methyl N-tert-butyl-N-[3-[3-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-3-methylcyclobutyl]carbamate is COC(=O)N(C1CC(C)(Oc2nc(-c3cnn(C)c3)cn3ncc(C4CC4)c23)C1)C(C)(C)C.

What is the InChIKey of methyl N-tert-butyl-N-[3-[3-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-3-methylcyclobutyl]carbamate?

The InChIKey is VFCKCGNZCMBNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3/c1-23(2,3)30(22(31)32-6)17-9-24(4,10-17)33-21-20-18(15-7-8-15)12-26-29(20)14-19(27-21)16-11-25-28(5)13-16/h11-15,17H,7-10H2,1-6H3.

What are the key properties of methyl N-tert-butyl-N-[3-[3-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-3-methylcyclobutyl]carbamate?

methyl N-tert-butyl-N-[3-[3-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-3-methylcyclobutyl]carbamate has a molecular weight of 452.56 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-tert-butyl-N-[3-[3-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-3-methylcyclobutyl]carbamate is sourced from PubChem (CID 163302027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).