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-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile

C49H50FN13O5 — CID 162726460

IUPAC6-[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-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESN#Cc1cnn2cc(-c3cnn(C4CCN(C(=O)CC5(O)CCN(c6ccc(NC7CCC(=O)NC7=O)cc6F)CC5)CC4)c3)nc(-c3ccc(N4CCC5(CC4)OCc4cccnc45)nc3)c12
InChIInChI=1S/C49H50FN13O5/c50-37-22-35(56-38-5-8-42(64)58-47(38)66)4-6-40(37)59-18-11-48(67,12-19-59)23-43(65)61-16-9-36(10-17-61)62-28-34(27-54-62)39-29-63-45(33(24-51)26-55-63)44(57-39)31-3-7-41(53-25-31)60-20-13-49(14-21-60)46-32(30-68-49)2-1-15-52-46/h1-4,6-7,15,22,25-29,36,38,56,67H,5,8-14,16-21,23,30H2,(H,58,64,66)
InChIKeyMATHUDSRUYRJKO-UHFFFAOYSA-N
MW920.02 g/mol
LogP4.89
Rot. Bonds9

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-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-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-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 162726460) has the molecular formula C49H50FN13O5 and a molecular weight of 920.02 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-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-[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-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
PubChem CID162726460
Molecular FormulaC49H50FN13O5
Molecular Weight920.02 g/mol
Exact Mass919.40
IUPAC Name6-[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-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESN#Cc1cnn2cc(-c3cnn(C4CCN(C(=O)CC5(O)CCN(c6ccc(NC7CCC(=O)NC7=O)cc6F)CC5)CC4)c3)nc(-c3ccc(N4CCC5(CC4)OCc4cccnc45)nc3)c12
InChIInChI=1S/C49H50FN13O5/c50-37-22-35(56-38-5-8-42(64)58-47(38)66)4-6-40(37)59-18-11-48(67,12-19-59)23-43(65)61-16-9-36(10-17-61)62-28-34(27-54-62)39-29-63-45(33(24-51)26-55-63)44(57-39)31-3-7-41(53-25-31)60-20-13-49(14-21-60)46-32(30-68-49)2-1-15-52-46/h1-4,6-7,15,22,25-29,36,38,56,67H,5,8-14,16-21,23,30H2,(H,58,64,66)
InChIKeyMATHUDSRUYRJKO-UHFFFAOYSA-N
XLogP4.89
TPSA212.03 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.02
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 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-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-[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-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-[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-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile (CID 162726460) 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-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-[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-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-[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-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(C4CCN(C(=O)CC5(O)CCN(c6ccc(NC7CCC(=O)NC7=O)cc6F)CC5)CC4)c3)nc(-c3ccc(N4CCC5(CC4)OCc4cccnc45)nc3)c12.
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-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The InChIKey is MATHUDSRUYRJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H50FN13O5/c50-37-22-35(56-38-5-8-42(64)58-47(38)66)4-6-40(37)59-18-11-48(67,12-19-59)23-43(65)61-16-9-36(10-17-61)62-28-34(27-54-62)39-29-63-45(33(24-51)26-55-63)44(57-39)31-3-7-41(53-25-31)60-20-13-49(14-21-60)46-32(30-68-49)2-1-15-52-46/h1-4,6-7,15,22,25-29,36,38,56,67H,5,8-14,16-21,23,30H2,(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-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-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-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 920.02 g/mol, XLogP of 4.89, 9 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-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 162726460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).