2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide

C41H46F2N8O6 — CID 167308702

IUPAC2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide
SMILESCC(C)Oc1cc2nn(C3CCN(C(=O)CC4CCN(c5ncc(C6CCC(=O)NC6=O)cc5F)CC4)CC3)cc2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O
InChIInChI=1S/C41H46F2N8O6/c1-23(2)57-35-20-33-26(17-29(35)40(55)45-32-4-3-11-50(41(32)56)34-19-30(34)42)22-51(47-33)27-9-14-48(15-10-27)37(53)16-24-7-12-49(13-8-24)38-31(43)18-25(21-44-38)28-5-6-36(52)46-39(28)54/h3-4,11,17-18,20-24,27-28,30,34H,5-10,12-16,19H2,1-2H3,(H,45,55)(H,46,52,54)/t28?,30-,34+/m1/s1
InChIKeyKKDOQAXLMINECE-BRDRGFALSA-N
MW784.87 g/mol
LogP5.04
Rot. Bonds10

About 2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide

2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide (PubChem CID 167308702) has the molecular formula C41H46F2N8O6 and a molecular weight of 784.87 g/mol. Its IUPAC name is 2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide.

Molecular Properties

Compound Name2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide
PubChem CID167308702
Molecular FormulaC41H46F2N8O6
Molecular Weight784.87 g/mol
Exact Mass784.35
IUPAC Name2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide
SMILESCC(C)Oc1cc2nn(C3CCN(C(=O)CC4CCN(c5ncc(C6CCC(=O)NC6=O)cc5F)CC4)CC3)cc2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O
InChIInChI=1S/C41H46F2N8O6/c1-23(2)57-35-20-33-26(17-29(35)40(55)45-32-4-3-11-50(41(32)56)34-19-30(34)42)22-51(47-33)27-9-14-48(15-10-27)37(53)16-24-7-12-49(13-8-24)38-31(43)18-25(21-44-38)28-5-6-36(52)46-39(28)54/h3-4,11,17-18,20-24,27-28,30,34H,5-10,12-16,19H2,1-2H3,(H,45,55)(H,46,52,54)/t28?,30-,34+/m1/s1
InChIKeyKKDOQAXLMINECE-BRDRGFALSA-N
XLogP5.04
TPSA160.76 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500784.87
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide with MolForge

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Related Compounds

[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl] 4-[5-[[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamoyl]-6-propan-2-yloxyindazol-2-yl]piperidine-1-carboxylate
CID 166471924
[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl] 4-[5-[[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamoyl]-6-propan-2-yloxyindazol-2-yl]piperidine-1-carboxylate
CID 166471952
2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide
CID 166472178
N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-[(1S,4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-6-propan-2-yloxyindazole-5-carboxamide
CID 169223724
N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]-6-methoxyindazole-5-carboxamide
CID 172879121
1-[(2S)-2-fluorocyclopropyl]-3-[[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]methylamino]pyridin-2-one
CID 175548939
2-[1-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-N-[1-[(1R,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide
CID 167136925
N-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-cyclopropyloxy-2-(4-propylcyclohexyl)indazole-5-carboxamide
CID 177065400
N-[6-(cyclopropylmethoxy)-2-[1-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 170740894
N-[1-[(1R,2R)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide
CID 167137250
3-[5-fluoro-6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
CID 166113598
2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-6-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide
CID 167308980

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide?
The IUPAC name of 2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide (CID 167308702) is 2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide.
What is the SMILES notation for 2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide?
The canonical SMILES for 2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide is CC(C)Oc1cc2nn(C3CCN(C(=O)CC4CCN(c5ncc(C6CCC(=O)NC6=O)cc5F)CC4)CC3)cc2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O.
What is the InChIKey of 2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide?
The InChIKey is KKDOQAXLMINECE-BRDRGFALSA-N. The full InChI is InChI=1S/C41H46F2N8O6/c1-23(2)57-35-20-33-26(17-29(35)40(55)45-32-4-3-11-50(41(32)56)34-19-30(34)42)22-51(47-33)27-9-14-48(15-10-27)37(53)16-24-7-12-49(13-8-24)38-31(43)18-25(21-44-38)28-5-6-36(52)46-39(28)54/h3-4,11,17-18,20-24,27-28,30,34H,5-10,12-16,19H2,1-2H3,(H,45,55)(H,46,52,54)/t28?,30-,34+/m1/s1.
What are the key properties of 2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide?
2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide has a molecular weight of 784.87 g/mol, XLogP of 5.04, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide is sourced from PubChem (CID 167308702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).