1-[5-[3-cyano-6-[1-[4-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide;formic acid

C49H59FN12O5 — CID 175717895

About 1-[5-[3-cyano-6-[1-[4-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide;formic acid

1-[5-[3-cyano-6-[1-[4-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide;formic acid (PubChem CID 175717895) has the molecular formula C49H59FN12O5 and a molecular weight of 915.09 g/mol. Its IUPAC name is 1-[5-[3-cyano-6-[1-[4-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide;formic acid.

Molecular Properties

• Compound Name: 1-[5-[3-cyano-6-[1-[4-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide;formic acid
• PubChem CID: 175717895
• Molecular Formula: C49H59FN12O5
• Molecular Weight: 915.09 g/mol
• Exact Mass: 914.47
• IUPAC Name: 1-[5-[3-cyano-6-[1-[4-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide;formic acid
• SMILES: CCC1(C(=O)NC(C)C)CCN(c2ccc(-c3nc(-c4cnn(C5CCC(N6CCC(c7ccc(N[C@@H]8CCC(=O)NC8=O)cc7F)CC6)CC5)c4)cn4ncc(C#N)c34)cn2)CC1.O=CO
• InChI: InChI=1S/C48H57FN12O3.CH2O2/c1-4-48(47(64)54-30(2)3)17-21-59(22-18-48)42-13-5-32(25-51-42)44-45-33(24-50)26-53-61(45)29-41(56-44)34-27-52-60(28-34)37-9-7-36(8-10-37)58-19-15-31(16-20-58)38-11-6-35(23-39(38)49)55-40-12-14-43(62)57-46(40)63;2-1-3/h5-6,11,13,23,25-31,36-37,40,55H,4,7-10,12,14-22H2,1-3H3,(H,54,64)(H,57,62,63);1H,(H,2,3)/t36?,37?,40-;/m1./s1
• InChIKey: OPSHQOAIEXIXSU-KEKFNVHJSA-N
• XLogP: 6.47
• TPSA: 215.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	915.09
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-cyano-6-[1-[4-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide;formic acid?

The IUPAC name of 1-[5-[3-cyano-6-[1-[4-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide;formic acid (CID 175717895) is 1-[5-[3-cyano-6-[1-[4-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide;formic acid.

What is the SMILES notation for 1-[5-[3-cyano-6-[1-[4-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide;formic acid?

The canonical SMILES for 1-[5-[3-cyano-6-[1-[4-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide;formic acid is CCC1(C(=O)NC(C)C)CCN(c2ccc(-c3nc(-c4cnn(C5CCC(N6CCC(c7ccc(N[C@@H]8CCC(=O)NC8=O)cc7F)CC6)CC5)c4)cn4ncc(C#N)c34)cn2)CC1.O=CO.

What is the InChIKey of 1-[5-[3-cyano-6-[1-[4-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide;formic acid?

The InChIKey is OPSHQOAIEXIXSU-KEKFNVHJSA-N. The full InChI is InChI=1S/C48H57FN12O3.CH2O2/c1-4-48(47(64)54-30(2)3)17-21-59(22-18-48)42-13-5-32(25-51-42)44-45-33(24-50)26-53-61(45)29-41(56-44)34-27-52-60(28-34)37-9-7-36(8-10-37)58-19-15-31(16-20-58)38-11-6-35(23-39(38)49)55-40-12-14-43(62)57-46(40)63;2-1-3/h5-6,11,13,23,25-31,36-37,40,55H,4,7-10,12,14-22H2,1-3H3,(H,54,64)(H,57,62,63);1H,(H,2,3)/t36?,37?,40-;/m1./s1.

What are the key properties of 1-[5-[3-cyano-6-[1-[4-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide;formic acid?

1-[5-[3-cyano-6-[1-[4-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide;formic acid has a molecular weight of 915.09 g/mol, XLogP of 6.47, 11 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[3-cyano-6-[1-[4-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide;formic acid is sourced from PubChem (CID 175717895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).