4-[6-[1-(4-chloropyrimidin-2-yl)-1,7-diazaspiro[3.5]nonan-7-yl]-3-pyridinyl]-6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2,6-difluorophenyl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile

C47H48ClF2N15O2 — CID 162725405

About 4-[6-[1-(4-chloropyrimidin-2-yl)-1,7-diazaspiro[3.5]nonan-7-yl]-3-pyridinyl]-6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2,6-difluorophenyl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile

4-[6-[1-(4-chloropyrimidin-2-yl)-1,7-diazaspiro[3.5]nonan-7-yl]-3-pyridinyl]-6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2,6-difluorophenyl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 162725405) has the molecular formula C47H48ClF2N15O2 and a molecular weight of 928.45 g/mol. Its IUPAC name is 4-[6-[1-(4-chloropyrimidin-2-yl)-1,7-diazaspiro[3.5]nonan-7-yl]-3-pyridinyl]-6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2,6-difluorophenyl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-[1-(4-chloropyrimidin-2-yl)-1,7-diazaspiro[3.5]nonan-7-yl]-3-pyridinyl]-6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2,6-difluorophenyl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
• PubChem CID: 162725405
• Molecular Formula: C47H48ClF2N15O2
• Molecular Weight: 928.45 g/mol
• Exact Mass: 927.38
• IUPAC Name: 4-[6-[1-(4-chloropyrimidin-2-yl)-1,7-diazaspiro[3.5]nonan-7-yl]-3-pyridinyl]-6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2,6-difluorophenyl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
• SMILES: N#Cc1cnn2cc(-c3cnn(C4CCC(N5CCN(c6c(F)cc(NC7CCC(=O)NC7=O)cc6F)CC5)CC4)c3)nc(-c3ccc(N4CCC5(CC4)CCN5c4nccc(Cl)n4)nc3)c12
• InChI: InChI=1S/C47H48ClF2N15O2/c48-39-9-13-52-46(58-39)63-16-12-47(63)10-14-61(15-11-47)40-7-1-29(24-53-40)42-43-30(23-51)25-55-65(43)28-38(57-42)31-26-54-64(27-31)34-4-2-33(3-5-34)60-17-19-62(20-18-60)44-35(49)21-32(22-36(44)50)56-37-6-8-41(66)59-45(37)67/h1,7,9,13,21-22,24-28,33-34,37,56H,2-6,8,10-12,14-20H2,(H,59,66,67)
• InChIKey: MVSDTBWFSLESEF-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 181.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	928.45
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[6-[1-(4-chloropyrimidin-2-yl)-1,7-diazaspiro[3.5]nonan-7-yl]-3-pyridinyl]-6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2,6-difluorophenyl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

The IUPAC name of 4-[6-[1-(4-chloropyrimidin-2-yl)-1,7-diazaspiro[3.5]nonan-7-yl]-3-pyridinyl]-6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2,6-difluorophenyl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (CID 162725405) is 4-[6-[1-(4-chloropyrimidin-2-yl)-1,7-diazaspiro[3.5]nonan-7-yl]-3-pyridinyl]-6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2,6-difluorophenyl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.

What is the SMILES notation for 4-[6-[1-(4-chloropyrimidin-2-yl)-1,7-diazaspiro[3.5]nonan-7-yl]-3-pyridinyl]-6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2,6-difluorophenyl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

The canonical SMILES for 4-[6-[1-(4-chloropyrimidin-2-yl)-1,7-diazaspiro[3.5]nonan-7-yl]-3-pyridinyl]-6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2,6-difluorophenyl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is N#Cc1cnn2cc(-c3cnn(C4CCC(N5CCN(c6c(F)cc(NC7CCC(=O)NC7=O)cc6F)CC5)CC4)c3)nc(-c3ccc(N4CCC5(CC4)CCN5c4nccc(Cl)n4)nc3)c12.

What is the InChIKey of 4-[6-[1-(4-chloropyrimidin-2-yl)-1,7-diazaspiro[3.5]nonan-7-yl]-3-pyridinyl]-6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2,6-difluorophenyl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

The InChIKey is MVSDTBWFSLESEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H48ClF2N15O2/c48-39-9-13-52-46(58-39)63-16-12-47(63)10-14-61(15-11-47)40-7-1-29(24-53-40)42-43-30(23-51)25-55-65(43)28-38(57-42)31-26-54-64(27-31)34-4-2-33(3-5-34)60-17-19-62(20-18-60)44-35(49)21-32(22-36(44)50)56-37-6-8-41(66)59-45(37)67/h1,7,9,13,21-22,24-28,33-34,37,56H,2-6,8,10-12,14-20H2,(H,59,66,67).

What are the key properties of 4-[6-[1-(4-chloropyrimidin-2-yl)-1,7-diazaspiro[3.5]nonan-7-yl]-3-pyridinyl]-6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2,6-difluorophenyl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

4-[6-[1-(4-chloropyrimidin-2-yl)-1,7-diazaspiro[3.5]nonan-7-yl]-3-pyridinyl]-6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2,6-difluorophenyl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile has a molecular weight of 928.45 g/mol, XLogP of 6.02, 9 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[1-(4-chloropyrimidin-2-yl)-1,7-diazaspiro[3.5]nonan-7-yl]-3-pyridinyl]-6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2,6-difluorophenyl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 162725405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).