6-[1-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile

C48H51FN14O4 — CID 162726481

About 6-[1-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile

6-[1-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 162726481) has the molecular formula C48H51FN14O4 and a molecular weight of 907.03 g/mol. Its IUPAC name is 6-[1-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[1-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
• PubChem CID: 162726481
• Molecular Formula: C48H51FN14O4
• Molecular Weight: 907.03 g/mol
• Exact Mass: 906.42
• IUPAC Name: 6-[1-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
• SMILES: Cc1ccnc(C2CCN(c3ccc(-c4nc(-c5cnn(C6CCN(C(=O)CC7(O)CCN(c8ccc(NC9CCC(=O)NC9=O)cc8F)CC7)CC6)c5)cn5ncc(C#N)c45)cn3)CC2)n1
• InChI: InChI=1S/C48H51FN14O4/c1-30-8-15-51-46(55-30)31-9-16-60(17-10-31)41-6-2-32(25-52-41)44-45-33(24-50)26-54-63(45)29-39(57-44)34-27-53-62(28-34)36-11-18-61(19-12-36)43(65)23-48(67)13-20-59(21-14-48)40-5-3-35(22-37(40)49)56-38-4-7-42(64)58-47(38)66/h2-3,5-6,8,15,22,25-29,31,36,38,56,67H,4,7,9-14,16-21,23H2,1H3,(H,58,64,66)
• InChIKey: ZQKWOULKXIZQEB-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 215.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	907.03
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	3
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 6-[1-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

The IUPAC name of 6-[1-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (CID 162726481) is 6-[1-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.

What is the SMILES notation for 6-[1-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

The canonical SMILES for 6-[1-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is Cc1ccnc(C2CCN(c3ccc(-c4nc(-c5cnn(C6CCN(C(=O)CC7(O)CCN(c8ccc(NC9CCC(=O)NC9=O)cc8F)CC7)CC6)c5)cn5ncc(C#N)c45)cn3)CC2)n1.

What is the InChIKey of 6-[1-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

The InChIKey is ZQKWOULKXIZQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H51FN14O4/c1-30-8-15-51-46(55-30)31-9-16-60(17-10-31)41-6-2-32(25-52-41)44-45-33(24-50)26-54-63(45)29-39(57-44)34-27-53-62(28-34)36-11-18-61(19-12-36)43(65)23-48(67)13-20-59(21-14-48)40-5-3-35(22-37(40)49)56-38-4-7-42(64)58-47(38)66/h2-3,5-6,8,15,22,25-29,31,36,38,56,67H,4,7,9-14,16-21,23H2,1H3,(H,58,64,66).

What are the key properties of 6-[1-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

6-[1-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile has a molecular weight of 907.03 g/mol, XLogP of 4.95, 10 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 162726481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).