4-[(3,5-difluorophenyl)methyl]-3-(dimethoxymethyl)-1-(oxan-2-yl)indazole

C22H24F2N2O3 — CID 175798153

IUPAC4-[(3,5-difluorophenyl)methyl]-3-(dimethoxymethyl)-1-(oxan-2-yl)indazole
SMILESCOC(OC)c1nn(C2CCCCO2)c2cccc(Cc3cc(F)cc(F)c3)c12
InChIInChI=1S/C22H24F2N2O3/c1-27-22(28-2)21-20-15(10-14-11-16(23)13-17(24)12-14)6-5-7-18(20)26(25-21)19-8-3-4-9-29-19/h5-7,11-13,19,22H,3-4,8-10H2,1-2H3
InChIKeyZVCJTVIWQGEALS-UHFFFAOYSA-N
MW402.44 g/mol
LogP4.90
Rot. Bonds6

About 4-[(3,5-difluorophenyl)methyl]-3-(dimethoxymethyl)-1-(oxan-2-yl)indazole

4-[(3,5-difluorophenyl)methyl]-3-(dimethoxymethyl)-1-(oxan-2-yl)indazole (PubChem CID 175798153) has the molecular formula C22H24F2N2O3 and a molecular weight of 402.44 g/mol. Its IUPAC name is 4-[(3,5-difluorophenyl)methyl]-3-(dimethoxymethyl)-1-(oxan-2-yl)indazole.

Molecular Properties

Compound Name4-[(3,5-difluorophenyl)methyl]-3-(dimethoxymethyl)-1-(oxan-2-yl)indazole
PubChem CID175798153
Molecular FormulaC22H24F2N2O3
Molecular Weight402.44 g/mol
Exact Mass402.18
IUPAC Name4-[(3,5-difluorophenyl)methyl]-3-(dimethoxymethyl)-1-(oxan-2-yl)indazole
SMILESCOC(OC)c1nn(C2CCCCO2)c2cccc(Cc3cc(F)cc(F)c3)c12
InChIInChI=1S/C22H24F2N2O3/c1-27-22(28-2)21-20-15(10-14-11-16(23)13-17(24)12-14)6-5-7-18(20)26(25-21)19-8-3-4-9-29-19/h5-7,11-13,19,22H,3-4,8-10H2,1-2H3
InChIKeyZVCJTVIWQGEALS-UHFFFAOYSA-N
XLogP4.90
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethane;4-fluoro-3-methyl-1-(oxan-2-yl)indazole
CID 144574984
[3-methyl-1-(oxan-2-yl)indazol-4-yl]methanamine
CID 71272763
methyl 4-[(1S)-1-[[1-(oxan-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carbonyl]amino]ethyl]benzoate
CID 155390818
4-methyl-1-(oxan-2-yl)-3-prop-2-enylindazole
CID 176885586
methyl 3-bromo-1-(oxan-2-yl)indazole-4-carboxylate
CID 72698240
ethane;ethyl 2-[[1-(oxan-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carbonyl]amino]spiro[3.3]heptane-6-carboxylate
CID 155739203
3-bromo-4-methoxy-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
CID 121228857
3-iodo-4-methoxy-1-(oxan-2-yl)indazol-5-ol
CID 169101637
4-fluoro-3-iodo-1-(oxan-2-yl)indazol-5-ol
CID 169101675
3-[(4-fluorophenyl)methyl]-1-(oxan-2-yl)-5-[(E)-2-phenylethenyl]indazole
CID 69454397
[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-dimethylstannane
CID 162308113
3-[3-[(2-methoxyacetyl)amino]phenyl]-1-(oxan-2-yl)indazole-4-carboxamide
CID 91412749

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorophenyl)methyl]-3-(dimethoxymethyl)-1-(oxan-2-yl)indazole?
The IUPAC name of 4-[(3,5-difluorophenyl)methyl]-3-(dimethoxymethyl)-1-(oxan-2-yl)indazole (CID 175798153) is 4-[(3,5-difluorophenyl)methyl]-3-(dimethoxymethyl)-1-(oxan-2-yl)indazole.
What is the SMILES notation for 4-[(3,5-difluorophenyl)methyl]-3-(dimethoxymethyl)-1-(oxan-2-yl)indazole?
The canonical SMILES for 4-[(3,5-difluorophenyl)methyl]-3-(dimethoxymethyl)-1-(oxan-2-yl)indazole is COC(OC)c1nn(C2CCCCO2)c2cccc(Cc3cc(F)cc(F)c3)c12.
What is the InChIKey of 4-[(3,5-difluorophenyl)methyl]-3-(dimethoxymethyl)-1-(oxan-2-yl)indazole?
The InChIKey is ZVCJTVIWQGEALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O3/c1-27-22(28-2)21-20-15(10-14-11-16(23)13-17(24)12-14)6-5-7-18(20)26(25-21)19-8-3-4-9-29-19/h5-7,11-13,19,22H,3-4,8-10H2,1-2H3.
What are the key properties of 4-[(3,5-difluorophenyl)methyl]-3-(dimethoxymethyl)-1-(oxan-2-yl)indazole?
4-[(3,5-difluorophenyl)methyl]-3-(dimethoxymethyl)-1-(oxan-2-yl)indazole has a molecular weight of 402.44 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorophenyl)methyl]-3-(dimethoxymethyl)-1-(oxan-2-yl)indazole is sourced from PubChem (CID 175798153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).