1-[5-[3-cyano-6-[1-(4-formylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-N-cyclobutyl-4-ethylpiperidine-4-carboxamide

C34H39N9O2 — CID 162726100

About 1-[5-[3-cyano-6-[1-(4-formylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-N-cyclobutyl-4-ethylpiperidine-4-carboxamide

1-[5-[3-cyano-6-[1-(4-formylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-N-cyclobutyl-4-ethylpiperidine-4-carboxamide (PubChem CID 162726100) has the molecular formula C34H39N9O2 and a molecular weight of 605.75 g/mol. Its IUPAC name is 1-[5-[3-cyano-6-[1-(4-formylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-N-cyclobutyl-4-ethylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[5-[3-cyano-6-[1-(4-formylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-N-cyclobutyl-4-ethylpiperidine-4-carboxamide
• PubChem CID: 162726100
• Molecular Formula: C34H39N9O2
• Molecular Weight: 605.75 g/mol
• Exact Mass: 605.32
• IUPAC Name: 1-[5-[3-cyano-6-[1-(4-formylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-N-cyclobutyl-4-ethylpiperidine-4-carboxamide
• SMILES: CCC1(C(=O)NC2CCC2)CCN(c2ccc(-c3nc(-c4cnn(C5CCC(C=O)CC5)c4)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C34H39N9O2/c1-2-34(33(45)39-27-4-3-5-27)12-14-41(15-13-34)30-11-8-24(17-36-30)31-32-25(16-35)18-38-43(32)21-29(40-31)26-19-37-42(20-26)28-9-6-23(22-44)7-10-28/h8,11,17-23,27-28H,2-7,9-10,12-15H2,1H3,(H,39,45)
• InChIKey: ZZJNZKAHXHAEJP-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 134.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.75
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-cyano-6-[1-(4-formylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-N-cyclobutyl-4-ethylpiperidine-4-carboxamide?

The IUPAC name of 1-[5-[3-cyano-6-[1-(4-formylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-N-cyclobutyl-4-ethylpiperidine-4-carboxamide (CID 162726100) is 1-[5-[3-cyano-6-[1-(4-formylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-N-cyclobutyl-4-ethylpiperidine-4-carboxamide.

What is the SMILES notation for 1-[5-[3-cyano-6-[1-(4-formylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-N-cyclobutyl-4-ethylpiperidine-4-carboxamide?

The canonical SMILES for 1-[5-[3-cyano-6-[1-(4-formylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-N-cyclobutyl-4-ethylpiperidine-4-carboxamide is CCC1(C(=O)NC2CCC2)CCN(c2ccc(-c3nc(-c4cnn(C5CCC(C=O)CC5)c4)cn4ncc(C#N)c34)cn2)CC1.

What is the InChIKey of 1-[5-[3-cyano-6-[1-(4-formylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-N-cyclobutyl-4-ethylpiperidine-4-carboxamide?

The InChIKey is ZZJNZKAHXHAEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N9O2/c1-2-34(33(45)39-27-4-3-5-27)12-14-41(15-13-34)30-11-8-24(17-36-30)31-32-25(16-35)18-38-43(32)21-29(40-31)26-19-37-42(20-26)28-9-6-23(22-44)7-10-28/h8,11,17-23,27-28H,2-7,9-10,12-15H2,1H3,(H,39,45).

What are the key properties of 1-[5-[3-cyano-6-[1-(4-formylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-N-cyclobutyl-4-ethylpiperidine-4-carboxamide?

1-[5-[3-cyano-6-[1-(4-formylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-N-cyclobutyl-4-ethylpiperidine-4-carboxamide has a molecular weight of 605.75 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[3-cyano-6-[1-(4-formylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-N-cyclobutyl-4-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 162726100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).