1-[4-[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]pyrazolo[1,5-a]pyridin-4-yl]phenyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide

C51H60FN11O4 — CID 162725791

IUPAC1-[4-[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]pyrazolo[1,5-a]pyridin-4-yl]phenyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCCC1(C(=O)NC(C)C)CCN(c2ccc(-c3cc(-c4cnn(C5CCN(C(=O)CN6CCC(c7ccc(NC8CCC(=O)NC8=O)cc7F)CC6)CC5)c4)cn4ncc(C#N)c34)cc2)CC1
InChIInChI=1S/C51H60FN11O4/c1-4-51(50(67)56-33(2)3)17-23-60(24-18-51)40-8-5-34(6-9-40)43-25-36(30-63-48(43)37(27-53)28-55-63)38-29-54-62(31-38)41-15-21-61(22-16-41)47(65)32-59-19-13-35(14-20-59)42-10-7-39(26-44(42)52)57-45-11-12-46(64)58-49(45)66/h5-10,25-26,28-31,33,35,41,45,57H,4,11-24,32H2,1-3H3,(H,56,67)(H,58,64,66)
InChIKeyRHLJHMUFWDEDIB-UHFFFAOYSA-N
MW910.11 g/mol
LogP6.66
Rot. Bonds12

About 1-[4-[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]pyrazolo[1,5-a]pyridin-4-yl]phenyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide

1-[4-[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]pyrazolo[1,5-a]pyridin-4-yl]phenyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 162725791) has the molecular formula C51H60FN11O4 and a molecular weight of 910.11 g/mol. Its IUPAC name is 1-[4-[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]pyrazolo[1,5-a]pyridin-4-yl]phenyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[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]pyrazolo[1,5-a]pyridin-4-yl]phenyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID162725791
Molecular FormulaC51H60FN11O4
Molecular Weight910.11 g/mol
Exact Mass909.48
IUPAC Name1-[4-[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]pyrazolo[1,5-a]pyridin-4-yl]phenyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCCC1(C(=O)NC(C)C)CCN(c2ccc(-c3cc(-c4cnn(C5CCN(C(=O)CN6CCC(c7ccc(NC8CCC(=O)NC8=O)cc7F)CC6)CC5)c4)cn4ncc(C#N)c34)cc2)CC1
InChIInChI=1S/C51H60FN11O4/c1-4-51(50(67)56-33(2)3)17-23-60(24-18-51)40-8-5-34(6-9-40)43-25-36(30-63-48(43)37(27-53)28-55-63)38-29-54-62(31-38)41-15-21-61(22-16-41)47(65)32-59-19-13-35(14-20-59)42-10-7-39(26-44(42)52)57-45-11-12-46(64)58-49(45)66/h5-10,25-26,28-31,33,35,41,45,57H,4,11-24,32H2,1-3H3,(H,56,67)(H,58,64,66)
InChIKeyRHLJHMUFWDEDIB-UHFFFAOYSA-N
XLogP6.66
TPSA173.00 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500910.11
LogP ≤ 56.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1-[4-[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]pyrazolo[1,5-a]pyridin-4-yl]phenyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[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]pyrazolo[1,5-a]pyridin-4-yl]phenyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-[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]pyrazolo[1,5-a]pyridin-4-yl]phenyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide (CID 162725791) is 1-[4-[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]pyrazolo[1,5-a]pyridin-4-yl]phenyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[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]pyrazolo[1,5-a]pyridin-4-yl]phenyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-[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]pyrazolo[1,5-a]pyridin-4-yl]phenyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide is CCC1(C(=O)NC(C)C)CCN(c2ccc(-c3cc(-c4cnn(C5CCN(C(=O)CN6CCC(c7ccc(NC8CCC(=O)NC8=O)cc7F)CC6)CC5)c4)cn4ncc(C#N)c34)cc2)CC1.
What is the InChIKey of 1-[4-[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]pyrazolo[1,5-a]pyridin-4-yl]phenyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is RHLJHMUFWDEDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H60FN11O4/c1-4-51(50(67)56-33(2)3)17-23-60(24-18-51)40-8-5-34(6-9-40)43-25-36(30-63-48(43)37(27-53)28-55-63)38-29-54-62(31-38)41-15-21-61(22-16-41)47(65)32-59-19-13-35(14-20-59)42-10-7-39(26-44(42)52)57-45-11-12-46(64)58-49(45)66/h5-10,25-26,28-31,33,35,41,45,57H,4,11-24,32H2,1-3H3,(H,56,67)(H,58,64,66).
What are the key properties of 1-[4-[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]pyrazolo[1,5-a]pyridin-4-yl]phenyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide?
1-[4-[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]pyrazolo[1,5-a]pyridin-4-yl]phenyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 910.11 g/mol, XLogP of 6.66, 12 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[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]pyrazolo[1,5-a]pyridin-4-yl]phenyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 162725791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).