6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]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]pyridine-3-carbonitrile

C52H53FN12O4 — CID 170242882

IUPAC6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]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]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(-c3ccc(N4CCN(C(=O)CN5CCC(c6ccc(NC7CCC(=O)NC7=O)cc6)CC5)CC4)cc3)cc(-c3ccc(N4CCN(C(=O)Cc5ccc(F)cn5)CC4)nc3)c12
InChIInChI=1S/C52H53FN12O4/c53-41-6-9-43(55-32-41)28-49(67)63-25-21-62(22-26-63)47-13-5-38(30-56-47)45-27-39(33-65-51(45)40(29-54)31-57-65)36-3-10-44(11-4-36)61-19-23-64(24-20-61)50(68)34-60-17-15-37(16-18-60)35-1-7-42(8-2-35)58-46-12-14-48(66)59-52(46)69/h1-11,13,27,30-33,37,46,58H,12,14-26,28,34H2,(H,59,66,69)
InChIKeyGILMAAKABYVDAR-UHFFFAOYSA-N
MW929.07 g/mol
LogP5.11
Rot. Bonds11

About 6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]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]pyridine-3-carbonitrile

6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]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]pyridine-3-carbonitrile (PubChem CID 170242882) has the molecular formula C52H53FN12O4 and a molecular weight of 929.07 g/mol. Its IUPAC name is 6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]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]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]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]pyridine-3-carbonitrile
PubChem CID170242882
Molecular FormulaC52H53FN12O4
Molecular Weight929.07 g/mol
Exact Mass928.43
IUPAC Name6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]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]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(-c3ccc(N4CCN(C(=O)CN5CCC(c6ccc(NC7CCC(=O)NC7=O)cc6)CC5)CC4)cc3)cc(-c3ccc(N4CCN(C(=O)Cc5ccc(F)cn5)CC4)nc3)c12
InChIInChI=1S/C52H53FN12O4/c53-41-6-9-43(55-32-41)28-49(67)63-25-21-62(22-26-63)47-13-5-38(30-56-47)45-27-39(33-65-51(45)40(29-54)31-57-65)36-3-10-44(11-4-36)61-19-23-64(24-20-61)50(68)34-60-17-15-37(16-18-60)35-1-7-42(8-2-35)58-46-12-14-48(66)59-52(46)69/h1-11,13,27,30-33,37,46,58H,12,14-26,28,34H2,(H,59,66,69)
InChIKeyGILMAAKABYVDAR-UHFFFAOYSA-N
XLogP5.11
TPSA175.41 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500929.07
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]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]pyridine-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]phenyl]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]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]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]pyridine-3-carbonitrile (CID 170242882) is 6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]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]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]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]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]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]pyridine-3-carbonitrile is N#Cc1cnn2cc(-c3ccc(N4CCN(C(=O)CN5CCC(c6ccc(NC7CCC(=O)NC7=O)cc6)CC5)CC4)cc3)cc(-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]phenyl]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]pyridine-3-carbonitrile?
The InChIKey is GILMAAKABYVDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H53FN12O4/c53-41-6-9-43(55-32-41)28-49(67)63-25-21-62(22-26-63)47-13-5-38(30-56-47)45-27-39(33-65-51(45)40(29-54)31-57-65)36-3-10-44(11-4-36)61-19-23-64(24-20-61)50(68)34-60-17-15-37(16-18-60)35-1-7-42(8-2-35)58-46-12-14-48(66)59-52(46)69/h1-11,13,27,30-33,37,46,58H,12,14-26,28,34H2,(H,59,66,69).
What are the key properties of 6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]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]pyridine-3-carbonitrile?
6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]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]pyridine-3-carbonitrile has a molecular weight of 929.07 g/mol, XLogP of 5.11, 11 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]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]pyridine-3-carbonitrile is sourced from PubChem (CID 170242882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).