6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]-4-(6-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile

C48H49FN12O3 — CID 162725918

IUPAC6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]-4-(6-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESN#Cc1cnn2cc(-c3cnn(C4CCC(N5CCC(c6ccc(NC7CCC(=O)NC7=O)cc6F)CC5)CC4)c3)nc(-c3ccc(N4CCC5(CC4)OCc4cccnc45)nc3)c12
InChIInChI=1S/C48H49FN12O3/c49-39-22-35(55-40-10-12-43(62)57-47(40)63)4-9-38(39)30-13-18-58(19-14-30)36-5-7-37(8-6-36)60-27-34(26-53-60)41-28-61-45(33(23-50)25-54-61)44(56-41)31-3-11-42(52-24-31)59-20-15-48(16-21-59)46-32(29-64-48)2-1-17-51-46/h1-4,9,11,17,22,24-28,30,36-37,40,55H,5-8,10,12-16,18-21,29H2,(H,57,62,63)
InChIKeyNTUAKJFQIOHLFR-UHFFFAOYSA-N
MW861.00 g/mol
LogP6.67
Rot. Bonds8

About 6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]-4-(6-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile

6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]-4-(6-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 162725918) has the molecular formula C48H49FN12O3 and a molecular weight of 861.00 g/mol. Its IUPAC name is 6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]-4-(6-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]-4-(6-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
PubChem CID162725918
Molecular FormulaC48H49FN12O3
Molecular Weight861.00 g/mol
Exact Mass860.40
IUPAC Name6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]-4-(6-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESN#Cc1cnn2cc(-c3cnn(C4CCC(N5CCC(c6ccc(NC7CCC(=O)NC7=O)cc6F)CC5)CC4)c3)nc(-c3ccc(N4CCC5(CC4)OCc4cccnc45)nc3)c12
InChIInChI=1S/C48H49FN12O3/c49-39-22-35(55-40-10-12-43(62)57-47(40)63)4-9-38(39)30-13-18-58(19-14-30)36-5-7-37(8-6-36)60-27-34(26-53-60)41-28-61-45(33(23-50)25-54-61)44(56-41)31-3-11-42(52-24-31)59-20-15-48(16-21-59)46-32(29-64-48)2-1-17-51-46/h1-4,9,11,17,22,24-28,30,36-37,40,55H,5-8,10,12-16,18-21,29H2,(H,57,62,63)
InChIKeyNTUAKJFQIOHLFR-UHFFFAOYSA-N
XLogP6.67
TPSA171.49 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500861.00
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]-4-(6-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-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-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]-4-(6-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The IUPAC name of 6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]-4-(6-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile (CID 162725918) is 6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]-4-(6-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile.
What is the SMILES notation for 6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]-4-(6-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The canonical SMILES for 6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]-4-(6-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile is N#Cc1cnn2cc(-c3cnn(C4CCC(N5CCC(c6ccc(NC7CCC(=O)NC7=O)cc6F)CC5)CC4)c3)nc(-c3ccc(N4CCC5(CC4)OCc4cccnc45)nc3)c12.
What is the InChIKey of 6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]-4-(6-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The InChIKey is NTUAKJFQIOHLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H49FN12O3/c49-39-22-35(55-40-10-12-43(62)57-47(40)63)4-9-38(39)30-13-18-58(19-14-30)36-5-7-37(8-6-36)60-27-34(26-53-60)41-28-61-45(33(23-50)25-54-61)44(56-41)31-3-11-42(52-24-31)59-20-15-48(16-21-59)46-32(29-64-48)2-1-17-51-46/h1-4,9,11,17,22,24-28,30,36-37,40,55H,5-8,10,12-16,18-21,29H2,(H,57,62,63).
What are the key properties of 6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]-4-(6-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]-4-(6-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile has a molecular weight of 861.00 g/mol, XLogP of 6.67, 8 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]-4-(6-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 162725918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).