1-[5-[3-cyano-6-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-4-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide

C₃₂H₃₂FN₉O — CID 168856886

About 1-[5-[3-cyano-6-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-4-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide

1-[5-[3-cyano-6-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-4-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide (PubChem CID 168856886) has the molecular formula C₃₂H₃₂FN₉O and a molecular weight of 577.67 g/mol. Its IUPAC name is 1-[5-[3-cyano-6-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-4-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[5-[3-cyano-6-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-4-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide
• PubChem CID: 168856886
• Molecular Formula: C₃₂H₃₂FN₉O
• Molecular Weight: 577.67 g/mol
• Exact Mass: 577.27
• IUPAC Name: 1-[5-[3-cyano-6-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-4-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide
• SMILES: CCC1(C(=O)Nc2ccc(F)cc2)CCN(c2ccc(-c3nc(-c4cnn(C(C)C)c4)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C32H32FN9O/c1-4-32(31(43)38-26-8-6-25(33)7-9-26)11-13-40(14-12-32)28-10-5-22(16-35-28)29-30-23(15-34)17-37-42(30)20-27(39-29)24-18-36-41(19-24)21(2)3/h5-10,16-21H,4,11-14H2,1-3H3,(H,38,43)
• InChIKey: NTGRNZPPYCXDJO-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 117.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.67
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-cyano-6-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-4-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide?

The IUPAC name of 1-[5-[3-cyano-6-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-4-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide (CID 168856886) is 1-[5-[3-cyano-6-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-4-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide.

What is the SMILES notation for 1-[5-[3-cyano-6-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-4-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide?

The canonical SMILES for 1-[5-[3-cyano-6-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-4-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide is CCC1(C(=O)Nc2ccc(F)cc2)CCN(c2ccc(-c3nc(-c4cnn(C(C)C)c4)cn4ncc(C#N)c34)cn2)CC1.

What is the InChIKey of 1-[5-[3-cyano-6-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-4-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide?

The InChIKey is NTGRNZPPYCXDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FN9O/c1-4-32(31(43)38-26-8-6-25(33)7-9-26)11-13-40(14-12-32)28-10-5-22(16-35-28)29-30-23(15-34)17-37-42(30)20-27(39-29)24-18-36-41(19-24)21(2)3/h5-10,16-21H,4,11-14H2,1-3H3,(H,38,43).

What are the key properties of 1-[5-[3-cyano-6-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-4-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide?

1-[5-[3-cyano-6-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-4-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 577.67 g/mol, XLogP of 5.88, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[3-cyano-6-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-4-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 168856886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 168856886 — identifiers, structure, computed properties (public domain)

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