1-[5-[3-cyano-6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-6-methyl-7H-pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,4-di(propan-2-yl)piperidine-4-carboxamide

C52H65FN12O4 — CID 162725439

IUPAC1-[5-[3-cyano-6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-6-methyl-7H-pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,4-di(propan-2-yl)piperidine-4-carboxamide
SMILESCC(C)NC(=O)C1(C(C)C)CCN(c2ccc(C3=CC(C)(c4cnn(C5CCN(C(=O)CN6CCC(c7ccc(NC8CCC(=O)NC8=O)cc7F)CC6)CC5)c4)Cn4ncc(C#N)c43)cn2)CC1
InChIInChI=1S/C52H65FN12O4/c1-33(2)52(50(69)58-34(3)4)16-22-62(23-17-52)45-10-6-36(27-55-45)42-25-51(5,32-65-48(42)37(26-54)28-56-65)38-29-57-64(30-38)40-14-20-63(21-15-40)47(67)31-61-18-12-35(13-19-61)41-8-7-39(24-43(41)53)59-44-9-11-46(66)60-49(44)68/h6-8,10,24-25,27-30,33-35,40,44,59H,9,11-23,31-32H2,1-5H3,(H,58,69)(H,60,66,68)
InChIKeyHASJRWUXYUETIP-UHFFFAOYSA-N
MW941.17 g/mol
LogP5.92
Rot. Bonds12

About 1-[5-[3-cyano-6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-6-methyl-7H-pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,4-di(propan-2-yl)piperidine-4-carboxamide

1-[5-[3-cyano-6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-6-methyl-7H-pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,4-di(propan-2-yl)piperidine-4-carboxamide (PubChem CID 162725439) has the molecular formula C52H65FN12O4 and a molecular weight of 941.17 g/mol. Its IUPAC name is 1-[5-[3-cyano-6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-6-methyl-7H-pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,4-di(propan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-[3-cyano-6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-6-methyl-7H-pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,4-di(propan-2-yl)piperidine-4-carboxamide
PubChem CID162725439
Molecular FormulaC52H65FN12O4
Molecular Weight941.17 g/mol
Exact Mass940.52
IUPAC Name1-[5-[3-cyano-6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-6-methyl-7H-pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,4-di(propan-2-yl)piperidine-4-carboxamide
SMILESCC(C)NC(=O)C1(C(C)C)CCN(c2ccc(C3=CC(C)(c4cnn(C5CCN(C(=O)CN6CCC(c7ccc(NC8CCC(=O)NC8=O)cc7F)CC6)CC5)c4)Cn4ncc(C#N)c43)cn2)CC1
InChIInChI=1S/C52H65FN12O4/c1-33(2)52(50(69)58-34(3)4)16-22-62(23-17-52)45-10-6-36(27-55-45)42-25-51(5,32-65-48(42)37(26-54)28-56-65)38-29-57-64(30-38)40-14-20-63(21-15-40)47(67)31-61-18-12-35(13-19-61)41-8-7-39(24-43(41)53)59-44-9-11-46(66)60-49(44)68/h6-8,10,24-25,27-30,33-35,40,44,59H,9,11-23,31-32H2,1-5H3,(H,58,69)(H,60,66,68)
InChIKeyHASJRWUXYUETIP-UHFFFAOYSA-N
XLogP5.92
TPSA186.41 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500941.17
LogP ≤ 55.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 1-[5-[3-cyano-6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-6-methyl-7H-pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,4-di(propan-2-yl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-cyano-6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-6-methyl-7H-pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,4-di(propan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[5-[3-cyano-6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-6-methyl-7H-pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,4-di(propan-2-yl)piperidine-4-carboxamide (CID 162725439) is 1-[5-[3-cyano-6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-6-methyl-7H-pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,4-di(propan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-[3-cyano-6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-6-methyl-7H-pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,4-di(propan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[5-[3-cyano-6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-6-methyl-7H-pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,4-di(propan-2-yl)piperidine-4-carboxamide is CC(C)NC(=O)C1(C(C)C)CCN(c2ccc(C3=CC(C)(c4cnn(C5CCN(C(=O)CN6CCC(c7ccc(NC8CCC(=O)NC8=O)cc7F)CC6)CC5)c4)Cn4ncc(C#N)c43)cn2)CC1.
What is the InChIKey of 1-[5-[3-cyano-6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-6-methyl-7H-pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,4-di(propan-2-yl)piperidine-4-carboxamide?
The InChIKey is HASJRWUXYUETIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H65FN12O4/c1-33(2)52(50(69)58-34(3)4)16-22-62(23-17-52)45-10-6-36(27-55-45)42-25-51(5,32-65-48(42)37(26-54)28-56-65)38-29-57-64(30-38)40-14-20-63(21-15-40)47(67)31-61-18-12-35(13-19-61)41-8-7-39(24-43(41)53)59-44-9-11-46(66)60-49(44)68/h6-8,10,24-25,27-30,33-35,40,44,59H,9,11-23,31-32H2,1-5H3,(H,58,69)(H,60,66,68).
What are the key properties of 1-[5-[3-cyano-6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-6-methyl-7H-pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,4-di(propan-2-yl)piperidine-4-carboxamide?
1-[5-[3-cyano-6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-6-methyl-7H-pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,4-di(propan-2-yl)piperidine-4-carboxamide has a molecular weight of 941.17 g/mol, XLogP of 5.92, 12 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-cyano-6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-6-methyl-7H-pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,4-di(propan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 162725439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).