methyl 6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]-1H-indazole-4-carboxylate

C28H27N3O6 — CID 171887610

IUPACmethyl 6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]-1H-indazole-4-carboxylate
SMILESCOC(=O)c1cc(C(O)C(O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc2[nH]ncc12
InChIInChI=1S/C28H27N3O6/c1-36-27(34)21-12-16(13-24-22(21)14-30-31-24)26(33)25(32)10-11-29-28(35)37-15-23-19-8-4-2-6-17(19)18-7-3-5-9-20(18)23/h2-9,12-14,23,25-26,32-33H,10-11,15H2,1H3,(H,29,35)(H,30,31)
InChIKeyWGTZVOMISZZYDT-UHFFFAOYSA-N
MW501.54 g/mol
LogP3.67
Rot. Bonds8

About methyl 6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]-1H-indazole-4-carboxylate

methyl 6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]-1H-indazole-4-carboxylate (PubChem CID 171887610) has the molecular formula C28H27N3O6 and a molecular weight of 501.54 g/mol. Its IUPAC name is methyl 6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]-1H-indazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]-1H-indazole-4-carboxylate
PubChem CID171887610
Molecular FormulaC28H27N3O6
Molecular Weight501.54 g/mol
Exact Mass501.19
IUPAC Namemethyl 6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]-1H-indazole-4-carboxylate
SMILESCOC(=O)c1cc(C(O)C(O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc2[nH]ncc12
InChIInChI=1S/C28H27N3O6/c1-36-27(34)21-12-16(13-24-22(21)14-30-31-24)26(33)25(32)10-11-29-28(35)37-15-23-19-8-4-2-6-17(19)18-7-3-5-9-20(18)23/h2-9,12-14,23,25-26,32-33H,10-11,15H2,1H3,(H,29,35)(H,30,31)
InChIKeyWGTZVOMISZZYDT-UHFFFAOYSA-N
XLogP3.67
TPSA133.77 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.54
LogP ≤ 53.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze methyl 6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]-1H-indazole-4-carboxylate with MolForge

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Related Compounds

methyl 5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]pyrimidine-2-carboxylate
CID 171887008
methyl 4-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]-2-hydroxybenzoate
CID 171887245
methyl 4-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]-2,6-difluorobenzoate
CID 171887497
9H-fluoren-9-ylmethyl N-[4-(3,5-dimethoxyphenyl)-3,4-dihydroxybutyl]carbamate
CID 171886928
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(3,4,5-trichlorophenyl)butyl]carbamate
CID 171886456
5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]benzene-1,3-dicarboxylic acid
CID 171887482
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-methylphenyl)butyl]carbamate
CID 171886058
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-propan-2-ylphenyl)butyl]carbamate
CID 171886469
9H-fluoren-9-ylmethyl N-[4-(3,5-dichloro-4-fluorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171886457
methyl 6-amino-5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]pyridine-3-carboxylate
CID 171887266
9H-fluoren-9-ylmethyl N-[4-(5,6-dichloro-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171886378
9H-fluoren-9-ylmethyl N-[4-(2H-benzotriazol-5-yl)-3,4-dihydroxybutyl]carbamate
CID 171886818

Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]-1H-indazole-4-carboxylate?
The IUPAC name of methyl 6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]-1H-indazole-4-carboxylate (CID 171887610) is methyl 6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]-1H-indazole-4-carboxylate.
What is the SMILES notation for methyl 6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]-1H-indazole-4-carboxylate?
The canonical SMILES for methyl 6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]-1H-indazole-4-carboxylate is COC(=O)c1cc(C(O)C(O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc2[nH]ncc12.
What is the InChIKey of methyl 6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]-1H-indazole-4-carboxylate?
The InChIKey is WGTZVOMISZZYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O6/c1-36-27(34)21-12-16(13-24-22(21)14-30-31-24)26(33)25(32)10-11-29-28(35)37-15-23-19-8-4-2-6-17(19)18-7-3-5-9-20(18)23/h2-9,12-14,23,25-26,32-33H,10-11,15H2,1H3,(H,29,35)(H,30,31).
What are the key properties of methyl 6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]-1H-indazole-4-carboxylate?
methyl 6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]-1H-indazole-4-carboxylate has a molecular weight of 501.54 g/mol, XLogP of 3.67, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]-1H-indazole-4-carboxylate is sourced from PubChem (CID 171887610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).