[4-[3-[6-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]cyclobutyl]oxycarbonylphenyl]-oxoazanium

C30H33N6O6+ — CID 153308138

IUPAC[4-[3-[6-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]cyclobutyl]oxycarbonylphenyl]-oxoazanium
SMILESCC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc4cnn(C5CC(OC(=O)c6ccc([NH+]=O)cc6)C5)c4c3)no2)CC1
InChIInChI=1S/C30H32N6O6/c1-30(2,3)41-29(38)35-12-10-18(11-13-35)27-32-26(34-42-27)20-4-5-21-17-31-36(25(21)14-20)23-15-24(16-23)40-28(37)19-6-8-22(33-39)9-7-19/h4-9,14,17-18,23-24H,10-13,15-16H2,1-3H3/p+1
InChIKeyOKOMLSJGIYKQJT-UHFFFAOYSA-O
MW573.63 g/mol
LogP4.24
Rot. Bonds6

About [4-[3-[6-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]cyclobutyl]oxycarbonylphenyl]-oxoazanium

[4-[3-[6-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]cyclobutyl]oxycarbonylphenyl]-oxoazanium (PubChem CID 153308138) has the molecular formula C30H33N6O6+ and a molecular weight of 573.63 g/mol. Its IUPAC name is [4-[3-[6-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]cyclobutyl]oxycarbonylphenyl]-oxoazanium.

Molecular Properties

Compound Name[4-[3-[6-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]cyclobutyl]oxycarbonylphenyl]-oxoazanium
PubChem CID153308138
Molecular FormulaC30H33N6O6+
Molecular Weight573.63 g/mol
Exact Mass573.25
IUPAC Name[4-[3-[6-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]cyclobutyl]oxycarbonylphenyl]-oxoazanium
SMILESCC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc4cnn(C5CC(OC(=O)c6ccc([NH+]=O)cc6)C5)c4c3)no2)CC1
InChIInChI=1S/C30H32N6O6/c1-30(2,3)41-29(38)35-12-10-18(11-13-35)27-32-26(34-42-27)20-4-5-21-17-31-36(25(21)14-20)23-15-24(16-23)40-28(37)19-6-8-22(33-39)9-7-19/h4-9,14,17-18,23-24H,10-13,15-16H2,1-3H3/p+1
InChIKeyOKOMLSJGIYKQJT-UHFFFAOYSA-O
XLogP4.24
TPSA143.62 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.63
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [4-[3-[6-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]cyclobutyl]oxycarbonylphenyl]-oxoazanium with MolForge

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Related Compounds

tert-butyl 4-[3-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 134478013
tert-butyl 3-[6-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]indazol-1-yl]azetidine-1-carboxylate;ethane
CID 142338166
methyl 4-[3-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 134477500
tert-butyl 4-[3-[1-[(1E)-3-fluorobuta-1,3-dienyl]indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 134477759
tert-butyl 4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 24803442
tert-butyl 4-[3-(1-methylimidazo[1,5-a]pyridin-7-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 142337967
(1-methylcyclopropyl) 4-[3-[1-(difluoromethyl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 153308090
tert-butyl N-[2-oxo-2-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]carbamate
CID 153308155
2-(1-methylcyclopropyl)-1-[4-[3-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 134478123
tert-butyl N-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate
CID 134477858
tert-butyl 4-[3-[2-(1-acetylazetidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 134477535
tert-butyl (3S)-3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
CID 66618481

Frequently Asked Questions

What is the IUPAC name of [4-[3-[6-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]cyclobutyl]oxycarbonylphenyl]-oxoazanium?
The IUPAC name of [4-[3-[6-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]cyclobutyl]oxycarbonylphenyl]-oxoazanium (CID 153308138) is [4-[3-[6-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]cyclobutyl]oxycarbonylphenyl]-oxoazanium.
What is the SMILES notation for [4-[3-[6-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]cyclobutyl]oxycarbonylphenyl]-oxoazanium?
The canonical SMILES for [4-[3-[6-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]cyclobutyl]oxycarbonylphenyl]-oxoazanium is CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc4cnn(C5CC(OC(=O)c6ccc([NH+]=O)cc6)C5)c4c3)no2)CC1.
What is the InChIKey of [4-[3-[6-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]cyclobutyl]oxycarbonylphenyl]-oxoazanium?
The InChIKey is OKOMLSJGIYKQJT-UHFFFAOYSA-O. The full InChI is InChI=1S/C30H32N6O6/c1-30(2,3)41-29(38)35-12-10-18(11-13-35)27-32-26(34-42-27)20-4-5-21-17-31-36(25(21)14-20)23-15-24(16-23)40-28(37)19-6-8-22(33-39)9-7-19/h4-9,14,17-18,23-24H,10-13,15-16H2,1-3H3/p+1.
What are the key properties of [4-[3-[6-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]cyclobutyl]oxycarbonylphenyl]-oxoazanium?
[4-[3-[6-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]cyclobutyl]oxycarbonylphenyl]-oxoazanium has a molecular weight of 573.63 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[6-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]cyclobutyl]oxycarbonylphenyl]-oxoazanium is sourced from PubChem (CID 153308138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).