[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-dimethylstannane

C23H29FN2O2Sn — CID 162308113

IUPAC[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-dimethylstannane
SMILESCCc1cc(OC)c(F)cc1-c1ccc2c([SnH](C)C)nn(C3CCCCO3)c2c1
InChIInChI=1S/C21H22FN2O2.2CH3.Sn.H/c1-3-14-11-20(25-2)18(22)12-17(14)15-7-8-16-13-23-24(19(16)10-15)21-6-4-5-9-26-21;;;;/h7-8,10-12,21H,3-6,9H2,1-2H3;2*1H3;;
InChIKeyCQYGVXJBGHFHRX-UHFFFAOYSA-N
MW503.21 g/mol
LogP4.81
Rot. Bonds5

About [6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-dimethylstannane

[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-dimethylstannane (PubChem CID 162308113) has the molecular formula C23H29FN2O2Sn and a molecular weight of 503.21 g/mol. Its IUPAC name is [6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-dimethylstannane.

Molecular Properties

Compound Name[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-dimethylstannane
PubChem CID162308113
Molecular FormulaC23H29FN2O2Sn
Molecular Weight503.21 g/mol
Exact Mass504.12
IUPAC Name[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-dimethylstannane
SMILESCCc1cc(OC)c(F)cc1-c1ccc2c([SnH](C)C)nn(C3CCCCO3)c2c1
InChIInChI=1S/C21H22FN2O2.2CH3.Sn.H/c1-3-14-11-20(25-2)18(22)12-17(14)15-7-8-16-13-23-24(19(16)10-15)21-6-4-5-9-26-21;;;;/h7-8,10-12,21H,3-6,9H2,1-2H3;2*1H3;;
InChIKeyCQYGVXJBGHFHRX-UHFFFAOYSA-N
XLogP4.81
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.21
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 140909053
tert-butyl 2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-6-[methoxy(methyl)carbamoyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;methoxyethane
CID 160833337
tert-butyl N-[(1S,3S)-3-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]oxycyclopentyl]carbamate
CID 162752494
ethyl 6-nitro-1-(oxan-2-yl)indazole-3-carboxylate
CID 170986033
N-[2-[[[6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide
CID 138677543
6-(2,6-difluoro-3,5-dimethoxyphenyl)-3-iodo-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
CID 86722838
methyl 6-[5,6-difluoro-1-(oxan-2-yl)indazol-3-yl]-2-methylpyridine-3-carboxylate
CID 167351144
3-bromo-6-methyl-1-(oxan-2-yl)indazole
CID 175654003
6-(4-chloro-2-methoxyphenyl)-1-fluoro-3-(oxan-2-yl)-7-(2,2,2-trifluoroethyl)-9,10-dihydro-8H-cyclohepta[e]indazole
CID 170705779
2-[[5-cyclopentylsulfonyl-2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazol-3-yl]methoxy]ethyl-trimethylsilane
CID 156785923
3-iodo-6-nitro-1-(oxan-2-yl)indazole
CID 23577850
5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(2H-triazol-4-yl)indazole
CID 170648947

Frequently Asked Questions

What is the IUPAC name of [6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-dimethylstannane?
The IUPAC name of [6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-dimethylstannane (CID 162308113) is [6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-dimethylstannane.
What is the SMILES notation for [6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-dimethylstannane?
The canonical SMILES for [6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-dimethylstannane is CCc1cc(OC)c(F)cc1-c1ccc2c([SnH](C)C)nn(C3CCCCO3)c2c1.
What is the InChIKey of [6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-dimethylstannane?
The InChIKey is CQYGVXJBGHFHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN2O2.2CH3.Sn.H/c1-3-14-11-20(25-2)18(22)12-17(14)15-7-8-16-13-23-24(19(16)10-15)21-6-4-5-9-26-21;;;;/h7-8,10-12,21H,3-6,9H2,1-2H3;2*1H3;;.
What are the key properties of [6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-dimethylstannane?
[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-dimethylstannane has a molecular weight of 503.21 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-dimethylstannane is sourced from PubChem (CID 162308113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).