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

C31H37N9O2 — CID 168856879

About 1-[5-[3-cyano-6-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-4-ethyl-N-(oxan-4-yl)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-(oxan-4-yl)piperidine-4-carboxamide (PubChem CID 168856879) has the molecular formula C31H37N9O2 and a molecular weight of 567.70 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-(oxan-4-yl)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-(oxan-4-yl)piperidine-4-carboxamide
• PubChem CID: 168856879
• Molecular Formula: C31H37N9O2
• Molecular Weight: 567.70 g/mol
• Exact Mass: 567.31
• 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-(oxan-4-yl)piperidine-4-carboxamide
• SMILES: CCC1(C(=O)NC2CCOCC2)CCN(c2ccc(-c3nc(-c4cnn(C(C)C)c4)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C31H37N9O2/c1-4-31(30(41)36-25-7-13-42-14-8-25)9-11-38(12-10-31)27-6-5-22(16-33-27)28-29-23(15-32)17-35-40(29)20-26(37-28)24-18-34-39(19-24)21(2)3/h5-6,16-21,25H,4,7-14H2,1-3H3,(H,36,41)
• InChIKey: FDYSMTAHFOJOGH-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 126.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.70
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

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-(oxan-4-yl)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-(oxan-4-yl)piperidine-4-carboxamide (CID 168856879) is 1-[5-[3-cyano-6-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-4-ethyl-N-(oxan-4-yl)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-(oxan-4-yl)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-(oxan-4-yl)piperidine-4-carboxamide is CCC1(C(=O)NC2CCOCC2)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-(oxan-4-yl)piperidine-4-carboxamide?

The InChIKey is FDYSMTAHFOJOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N9O2/c1-4-31(30(41)36-25-7-13-42-14-8-25)9-11-38(12-10-31)27-6-5-22(16-33-27)28-29-23(15-32)17-35-40(29)20-26(37-28)24-18-34-39(19-24)21(2)3/h5-6,16-21,25H,4,7-14H2,1-3H3,(H,36,41).

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-(oxan-4-yl)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-(oxan-4-yl)piperidine-4-carboxamide has a molecular weight of 567.70 g/mol, XLogP of 4.40, 7 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-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-4-ethyl-N-(oxan-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 168856879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).