1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-propan-2-ylpiperidine-4-carboxamide

C51H58FN11O4 — CID 170242812

IUPAC1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1(C)CCN(c2ccc(-c3cc(-c4ccc(N5CCN(C(=O)CN6CCC(c7ccc(NC8CCC(=O)NC8=O)cc7F)CC6)CC5)cc4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C51H58FN11O4/c1-33(2)56-50(67)51(3)16-20-61(21-17-51)45-12-6-36(29-54-45)42-26-37(31-63-48(42)38(28-53)30-55-63)34-4-8-40(9-5-34)60-22-24-62(25-23-60)47(65)32-59-18-14-35(15-19-59)41-10-7-39(27-43(41)52)57-44-11-13-46(64)58-49(44)66/h4-10,12,26-27,29-31,33,35,44,57H,11,13-25,32H2,1-3H3,(H,56,67)(H,58,64,66)
InChIKeyRQKGQQZMKJCDDQ-UHFFFAOYSA-N
MW908.10 g/mol
LogP5.95
Rot. Bonds11

About 1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-propan-2-ylpiperidine-4-carboxamide

1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 170242812) has the molecular formula C51H58FN11O4 and a molecular weight of 908.10 g/mol. Its IUPAC name is 1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID170242812
Molecular FormulaC51H58FN11O4
Molecular Weight908.10 g/mol
Exact Mass907.47
IUPAC Name1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1(C)CCN(c2ccc(-c3cc(-c4ccc(N5CCN(C(=O)CN6CCC(c7ccc(NC8CCC(=O)NC8=O)cc7F)CC6)CC5)cc4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C51H58FN11O4/c1-33(2)56-50(67)51(3)16-20-61(21-17-51)45-12-6-36(29-54-45)42-26-37(31-63-48(42)38(28-53)30-55-63)34-4-8-40(9-5-34)60-22-24-62(25-23-60)47(65)32-59-18-14-35(15-19-59)41-10-7-39(27-43(41)52)57-44-11-13-46(64)58-49(44)66/h4-10,12,26-27,29-31,33,35,44,57H,11,13-25,32H2,1-3H3,(H,56,67)(H,58,64,66)
InChIKeyRQKGQQZMKJCDDQ-UHFFFAOYSA-N
XLogP5.95
TPSA171.31 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500908.10
LogP ≤ 55.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-propan-2-ylpiperidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-propan-2-ylpiperidine-4-carboxamide (CID 170242812) is 1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1(C)CCN(c2ccc(-c3cc(-c4ccc(N5CCN(C(=O)CN6CCC(c7ccc(NC8CCC(=O)NC8=O)cc7F)CC6)CC5)cc4)cn4ncc(C#N)c34)cn2)CC1.
What is the InChIKey of 1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is RQKGQQZMKJCDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H58FN11O4/c1-33(2)56-50(67)51(3)16-20-61(21-17-51)45-12-6-36(29-54-45)42-26-37(31-63-48(42)38(28-53)30-55-63)34-4-8-40(9-5-34)60-22-24-62(25-23-60)47(65)32-59-18-14-35(15-19-59)41-10-7-39(27-43(41)52)57-44-11-13-46(64)58-49(44)66/h4-10,12,26-27,29-31,33,35,44,57H,11,13-25,32H2,1-3H3,(H,56,67)(H,58,64,66).
What are the key properties of 1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-propan-2-ylpiperidine-4-carboxamide?
1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 908.10 g/mol, XLogP of 5.95, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 170242812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).