methyl 6-[(4-methoxyphenyl)methoxy]-2-(oxan-4-yl)indazole-5-carboxylate

C22H24N2O5 — CID 155438450

IUPACmethyl 6-[(4-methoxyphenyl)methoxy]-2-(oxan-4-yl)indazole-5-carboxylate
SMILESCOC(=O)c1cc2cn(C3CCOCC3)nc2cc1OCc1ccc(OC)cc1
InChIInChI=1S/C22H24N2O5/c1-26-18-5-3-15(4-6-18)14-29-21-12-20-16(11-19(21)22(25)27-2)13-24(23-20)17-7-9-28-10-8-17/h3-6,11-13,17H,7-10,14H2,1-2H3
InChIKeyQZGYMFXWJYRBLU-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.76
Rot. Bonds6

About methyl 6-[(4-methoxyphenyl)methoxy]-2-(oxan-4-yl)indazole-5-carboxylate

methyl 6-[(4-methoxyphenyl)methoxy]-2-(oxan-4-yl)indazole-5-carboxylate (PubChem CID 155438450) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is methyl 6-[(4-methoxyphenyl)methoxy]-2-(oxan-4-yl)indazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(4-methoxyphenyl)methoxy]-2-(oxan-4-yl)indazole-5-carboxylate
PubChem CID155438450
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Namemethyl 6-[(4-methoxyphenyl)methoxy]-2-(oxan-4-yl)indazole-5-carboxylate
SMILESCOC(=O)c1cc2cn(C3CCOCC3)nc2cc1OCc1ccc(OC)cc1
InChIInChI=1S/C22H24N2O5/c1-26-18-5-3-15(4-6-18)14-29-21-12-20-16(11-19(21)22(25)27-2)13-24(23-20)17-7-9-28-10-8-17/h3-6,11-13,17H,7-10,14H2,1-2H3
InChIKeyQZGYMFXWJYRBLU-UHFFFAOYSA-N
XLogP3.76
TPSA71.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-(oxan-4-yl)indazole-6-carboxylate
CID 137377490
ethane;methoxymethylbenzene;methyl 2-cyclohexyl-6-propan-2-yloxyindazole-5-carboxylate
CID 166472245
N-[6-(difluoromethyl)-2-pyridinyl]-6-methoxy-2-(oxan-4-yl)indazole-5-carboxamide;hydrochloride
CID 155438577
methyl 2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-6-methoxyindazole-5-carboxylate
CID 163396417
methyl 2-(oxan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxylate
CID 155438556
N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]-3-methyl-1,2,4-oxadiazole-5-carboxamide
CID 137377583
6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide
CID 137377513
2-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]-1-(6-morpholin-4-yl-2-pyridinyl)ethanone
CID 161198224
2,3,5-trifluoro-4-[(4-methoxyphenyl)methoxy]-N-[[4-[6-(4-methylpiperazin-1-yl)indazol-2-yl]cyclohexyl]methyl]benzamide
CID 171469303
2-(oxan-4-yl)-6-propan-2-yloxy-N-pyrazolo[1,5-a]pyridin-7-ylindazole-5-carboxamide
CID 155438483
5-bromo-6-methyl-2-(oxan-4-yl)indazole
CID 178165259
tert-butyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate;methyl 6-methoxy-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]indazole-5-carboxylate
CID 175927197

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4-methoxyphenyl)methoxy]-2-(oxan-4-yl)indazole-5-carboxylate?
The IUPAC name of methyl 6-[(4-methoxyphenyl)methoxy]-2-(oxan-4-yl)indazole-5-carboxylate (CID 155438450) is methyl 6-[(4-methoxyphenyl)methoxy]-2-(oxan-4-yl)indazole-5-carboxylate.
What is the SMILES notation for methyl 6-[(4-methoxyphenyl)methoxy]-2-(oxan-4-yl)indazole-5-carboxylate?
The canonical SMILES for methyl 6-[(4-methoxyphenyl)methoxy]-2-(oxan-4-yl)indazole-5-carboxylate is COC(=O)c1cc2cn(C3CCOCC3)nc2cc1OCc1ccc(OC)cc1.
What is the InChIKey of methyl 6-[(4-methoxyphenyl)methoxy]-2-(oxan-4-yl)indazole-5-carboxylate?
The InChIKey is QZGYMFXWJYRBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-26-18-5-3-15(4-6-18)14-29-21-12-20-16(11-19(21)22(25)27-2)13-24(23-20)17-7-9-28-10-8-17/h3-6,11-13,17H,7-10,14H2,1-2H3.
What are the key properties of methyl 6-[(4-methoxyphenyl)methoxy]-2-(oxan-4-yl)indazole-5-carboxylate?
methyl 6-[(4-methoxyphenyl)methoxy]-2-(oxan-4-yl)indazole-5-carboxylate has a molecular weight of 396.44 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4-methoxyphenyl)methoxy]-2-(oxan-4-yl)indazole-5-carboxylate is sourced from PubChem (CID 155438450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).