6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C51H54FN13O3 — CID 162725481

IUPAC6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(-c3cnn(C4CCN(C(=O)CN5CCC(c6ccc(NC7CCC(=O)NC7=O)cc6F)CC5)CC4)c3)cc(-c3ccc(N4CC5CCC(C4)N5Cc4ccccn4)nc3)c12
InChIInChI=1S/C51H54FN13O3/c52-45-22-38(58-46-9-11-48(66)59-51(46)68)5-8-43(45)33-12-17-60(18-13-33)32-49(67)61-19-14-40(15-20-61)64-28-37(26-56-64)35-21-44(50-36(23-53)25-57-65(50)27-35)34-4-10-47(55-24-34)62-30-41-6-7-42(31-62)63(41)29-39-3-1-2-16-54-39/h1-5,8,10,16,21-22,24-28,33,40-42,46,58H,6-7,9,11-15,17-20,29-32H2,(H,59,66,68)
InChIKeyRGFZGKHNNGZHAE-UHFFFAOYSA-N
MW916.08 g/mol
LogP5.78
Rot. Bonds11

About 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 162725481) has the molecular formula C51H54FN13O3 and a molecular weight of 916.08 g/mol. Its IUPAC name is 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID162725481
Molecular FormulaC51H54FN13O3
Molecular Weight916.08 g/mol
Exact Mass915.45
IUPAC Name6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(-c3cnn(C4CCN(C(=O)CN5CCC(c6ccc(NC7CCC(=O)NC7=O)cc6F)CC5)CC4)c3)cc(-c3ccc(N4CC5CCC(C4)N5Cc4ccccn4)nc3)c12
InChIInChI=1S/C51H54FN13O3/c52-45-22-38(58-46-9-11-48(66)59-51(46)68)5-8-43(45)33-12-17-60(18-13-33)32-49(67)61-19-14-40(15-20-61)64-28-37(26-56-64)35-21-44(50-36(23-53)25-57-65(50)27-35)34-4-10-47(55-24-34)62-30-41-6-7-42(31-62)63(41)29-39-3-1-2-16-54-39/h1-5,8,10,16,21-22,24-28,33,40-42,46,58H,6-7,9,11-15,17-20,29-32H2,(H,59,66,68)
InChIKeyRGFZGKHNNGZHAE-UHFFFAOYSA-N
XLogP5.78
TPSA172.92 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500916.08
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-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-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 162725481) is 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cnn2cc(-c3cnn(C4CCN(C(=O)CN5CCC(c6ccc(NC7CCC(=O)NC7=O)cc6F)CC5)CC4)c3)cc(-c3ccc(N4CC5CCC(C4)N5Cc4ccccn4)nc3)c12.
What is the InChIKey of 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is RGFZGKHNNGZHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H54FN13O3/c52-45-22-38(58-46-9-11-48(66)59-51(46)68)5-8-43(45)33-12-17-60(18-13-33)32-49(67)61-19-14-40(15-20-61)64-28-37(26-56-64)35-21-44(50-36(23-53)25-57-65(50)27-35)34-4-10-47(55-24-34)62-30-41-6-7-42(31-62)63(41)29-39-3-1-2-16-54-39/h1-5,8,10,16,21-22,24-28,33,40-42,46,58H,6-7,9,11-15,17-20,29-32H2,(H,59,66,68).
What are the key properties of 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 916.08 g/mol, XLogP of 5.78, 11 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 162725481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).