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

C43H51FN6O6 — CID 171108572

IUPACN-[4-[[2-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]piperidin-1-yl]methyl]cyclohexyl]-2-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide
SMILESCC(C)Oc1cc2nn(-c3cccn([C@H]4C[C@H]4F)c3=O)cc2cc1C(=O)NC1CCC(CN2CCCCC2Cc2ccc(OC3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C43H51FN6O6/c1-26(2)55-39-23-35-29(25-50(47-35)36-7-5-19-49(43(36)54)37-22-34(37)44)21-33(39)41(52)45-30-12-8-28(9-13-30)24-48-18-4-3-6-31(48)20-27-10-14-32(15-11-27)56-38-16-17-40(51)46-42(38)53/h5,7,10-11,14-15,19,21,23,25-26,28,30-31,34,37-38H,3-4,6,8-9,12-13,16-18,20,22,24H2,1-2H3,(H,45,52)(H,46,51,53)/t28?,30?,31?,34-,37+,38?/m1/s1
InChIKeyMFVXSRMVTBSHML-CFOIRWNISA-N
MW766.92 g/mol
LogP5.83
Rot. Bonds12

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

N-[4-[[2-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]piperidin-1-yl]methyl]cyclohexyl]-2-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide (PubChem CID 171108572) has the molecular formula C43H51FN6O6 and a molecular weight of 766.92 g/mol. Its IUPAC name is N-[4-[[2-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]piperidin-1-yl]methyl]cyclohexyl]-2-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]piperidin-1-yl]methyl]cyclohexyl]-2-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide
PubChem CID171108572
Molecular FormulaC43H51FN6O6
Molecular Weight766.92 g/mol
Exact Mass766.39
IUPAC NameN-[4-[[2-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]piperidin-1-yl]methyl]cyclohexyl]-2-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide
SMILESCC(C)Oc1cc2nn(-c3cccn([C@H]4C[C@H]4F)c3=O)cc2cc1C(=O)NC1CCC(CN2CCCCC2Cc2ccc(OC3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C43H51FN6O6/c1-26(2)55-39-23-35-29(25-50(47-35)36-7-5-19-49(43(36)54)37-22-34(37)44)21-33(39)41(52)45-30-12-8-28(9-13-30)24-48-18-4-3-6-31(48)20-27-10-14-32(15-11-27)56-38-16-17-40(51)46-42(38)53/h5,7,10-11,14-15,19,21,23,25-26,28,30-31,34,37-38H,3-4,6,8-9,12-13,16-18,20,22,24H2,1-2H3,(H,45,52)(H,46,51,53)/t28?,30?,31?,34-,37+,38?/m1/s1
InChIKeyMFVXSRMVTBSHML-CFOIRWNISA-N
XLogP5.83
TPSA136.79 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.92
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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

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Related Compounds

2-(1-cyclopropyl-2-oxo-3-pyridinyl)-N-[4-(phenylmethoxymethyl)cyclohexyl]-6-propan-2-yloxyindazole-5-carboxamide
CID 171108599
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
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
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
tert-butyl 2-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]piperidine-1-carboxylate
CID 166472074
[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-[(2S)-2-fluorocyclopropyl]-3-[[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]methylamino]pyridin-2-one
CID 175548939
N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[5-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]-2,5-diazaspiro[3.4]octan-2-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
CID 166472055
N-[4-[2-[4-[4-(2,6-dioxopiperidin-3-yl)-3-methylphenyl]piperazin-1-yl]ethyl]cyclohexyl]-2-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 176797258
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
2-[4-[[(3S,4R)-4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3-hydroxypiperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
CID 167309110
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]piperidin-1-yl]methyl]cyclohexyl]-2-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide?
The IUPAC name of N-[4-[[2-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]piperidin-1-yl]methyl]cyclohexyl]-2-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide (CID 171108572) is N-[4-[[2-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]piperidin-1-yl]methyl]cyclohexyl]-2-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide.
What is the SMILES notation for N-[4-[[2-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]piperidin-1-yl]methyl]cyclohexyl]-2-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide?
The canonical SMILES for N-[4-[[2-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]piperidin-1-yl]methyl]cyclohexyl]-2-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide is CC(C)Oc1cc2nn(-c3cccn([C@H]4C[C@H]4F)c3=O)cc2cc1C(=O)NC1CCC(CN2CCCCC2Cc2ccc(OC3CCC(=O)NC3=O)cc2)CC1.
What is the InChIKey of N-[4-[[2-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]piperidin-1-yl]methyl]cyclohexyl]-2-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide?
The InChIKey is MFVXSRMVTBSHML-CFOIRWNISA-N. The full InChI is InChI=1S/C43H51FN6O6/c1-26(2)55-39-23-35-29(25-50(47-35)36-7-5-19-49(43(36)54)37-22-34(37)44)21-33(39)41(52)45-30-12-8-28(9-13-30)24-48-18-4-3-6-31(48)20-27-10-14-32(15-11-27)56-38-16-17-40(51)46-42(38)53/h5,7,10-11,14-15,19,21,23,25-26,28,30-31,34,37-38H,3-4,6,8-9,12-13,16-18,20,22,24H2,1-2H3,(H,45,52)(H,46,51,53)/t28?,30?,31?,34-,37+,38?/m1/s1.
What are the key properties of N-[4-[[2-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]piperidin-1-yl]methyl]cyclohexyl]-2-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide?
N-[4-[[2-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]piperidin-1-yl]methyl]cyclohexyl]-2-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide has a molecular weight of 766.92 g/mol, XLogP of 5.83, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]piperidin-1-yl]methyl]cyclohexyl]-2-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide is sourced from PubChem (CID 171108572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).