6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile

C51H51F2N13O4 — CID 170242828

IUPAC6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESN#Cc1cnn2cc(-c3ccc(N4CCN(C(=O)CN5CCC(c6ccc(NC7CCC(=O)NC7=O)cc6F)CC5)CC4)cc3)nc(-c3ccc(N4CCN(C(=O)Cc5ccc(F)cn5)CC4)nc3)c12
InChIInChI=1S/C51H51F2N13O4/c52-37-4-5-38(55-30-37)26-47(68)64-23-19-63(20-24-64)45-11-3-35(28-56-45)49-50-36(27-54)29-57-66(50)31-44(59-49)34-1-7-40(8-2-34)62-17-21-65(22-18-62)48(69)32-61-15-13-33(14-16-61)41-9-6-39(25-42(41)53)58-43-10-12-46(67)60-51(43)70/h1-9,11,25,28-31,33,43,58H,10,12-24,26,32H2,(H,60,67,70)
InChIKeyNMACIDOSMNRLRO-UHFFFAOYSA-N
MW948.05 g/mol
LogP4.64
Rot. Bonds11

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

6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 170242828) has the molecular formula C51H51F2N13O4 and a molecular weight of 948.05 g/mol. Its IUPAC name is 6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
PubChem CID170242828
Molecular FormulaC51H51F2N13O4
Molecular Weight948.05 g/mol
Exact Mass947.42
IUPAC Name6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESN#Cc1cnn2cc(-c3ccc(N4CCN(C(=O)CN5CCC(c6ccc(NC7CCC(=O)NC7=O)cc6F)CC5)CC4)cc3)nc(-c3ccc(N4CCN(C(=O)Cc5ccc(F)cn5)CC4)nc3)c12
InChIInChI=1S/C51H51F2N13O4/c52-37-4-5-38(55-30-37)26-47(68)64-23-19-63(20-24-64)45-11-3-35(28-56-45)49-50-36(27-54)29-57-66(50)31-44(59-49)34-1-7-40(8-2-34)62-17-21-65(22-18-62)48(69)32-61-15-13-33(14-16-61)41-9-6-39(25-42(41)53)58-43-10-12-46(67)60-51(43)70/h1-9,11,25,28-31,33,43,58H,10,12-24,26,32H2,(H,60,67,70)
InChIKeyNMACIDOSMNRLRO-UHFFFAOYSA-N
XLogP4.64
TPSA188.30 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500948.05
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The IUPAC name of 6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (CID 170242828) is 6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.
What is the SMILES notation for 6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The canonical SMILES for 6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is N#Cc1cnn2cc(-c3ccc(N4CCN(C(=O)CN5CCC(c6ccc(NC7CCC(=O)NC7=O)cc6F)CC5)CC4)cc3)nc(-c3ccc(N4CCN(C(=O)Cc5ccc(F)cn5)CC4)nc3)c12.
What is the InChIKey of 6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The InChIKey is NMACIDOSMNRLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H51F2N13O4/c52-37-4-5-38(55-30-37)26-47(68)64-23-19-63(20-24-64)45-11-3-35(28-56-45)49-50-36(27-54)29-57-66(50)31-44(59-49)34-1-7-40(8-2-34)62-17-21-65(22-18-62)48(69)32-61-15-13-33(14-16-61)41-9-6-39(25-42(41)53)58-43-10-12-46(67)60-51(43)70/h1-9,11,25,28-31,33,43,58H,10,12-24,26,32H2,(H,60,67,70).
What are the key properties of 6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile has a molecular weight of 948.05 g/mol, XLogP of 4.64, 11 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 170242828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).