1-[methyl-[3-(1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile

C27H31N5O2Si — CID 168728047

IUPAC1-[methyl-[3-(1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile
SMILESCN(c1ccc2c(c1)c(-c1cnco1)nn2COCC[Si](C)(C)C)C1CCc2cc(C#N)ccc21
InChIInChI=1S/C27H31N5O2Si/c1-31(24-9-6-20-13-19(15-28)5-8-22(20)24)21-7-10-25-23(14-21)27(26-16-29-17-34-26)30-32(25)18-33-11-12-35(2,3)4/h5,7-8,10,13-14,16-17,24H,6,9,11-12,18H2,1-4H3
InChIKeyKUZDTOBGRVKTLP-UHFFFAOYSA-N
MW485.66 g/mol
LogP6.00
Rot. Bonds8

About 1-[methyl-[3-(1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile

1-[methyl-[3-(1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 168728047) has the molecular formula C27H31N5O2Si and a molecular weight of 485.66 g/mol. Its IUPAC name is 1-[methyl-[3-(1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name1-[methyl-[3-(1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID168728047
Molecular FormulaC27H31N5O2Si
Molecular Weight485.66 g/mol
Exact Mass485.22
IUPAC Name1-[methyl-[3-(1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile
SMILESCN(c1ccc2c(c1)c(-c1cnco1)nn2COCC[Si](C)(C)C)C1CCc2cc(C#N)ccc21
InChIInChI=1S/C27H31N5O2Si/c1-31(24-9-6-20-13-19(15-28)5-8-22(20)24)21-7-10-25-23(14-21)27(26-16-29-17-34-26)30-32(25)18-33-11-12-35(2,3)4/h5,7-8,10,13-14,16-17,24H,6,9,11-12,18H2,1-4H3
InChIKeyKUZDTOBGRVKTLP-UHFFFAOYSA-N
XLogP6.00
TPSA80.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.66
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[2-[[5-nitro-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl]silane
CID 168728003
N-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-nitro-N-[3-(1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]benzenesulfonamide
CID 168727972
1-[4-amino-N-methyl-3-(1,3-oxazole-5-carboximidoyl)anilino]-2,3-dihydro-1H-indene-5-carbonitrile
CID 156851052
(1S)-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
CID 166727811
(1S)-1-[[3-(1,3-oxazol-5-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
CID 163885900
2-[[5-bromo-3-(2-methyl-1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 168727886
(6S)-6-methyl-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]iminomethyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 163444066
(1R)-1-[[3-(1,3-oxazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile
CID 163836572
trimethyl-[2-[[5-(2-methylphenyl)-3-phenylindazol-1-yl]methoxy]ethyl]silane
CID 22352427
5-(2,6-difluorophenyl)-3-(piperidin-4-ylamino)-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]isoquinoline-7-carbonitrile
CID 142764704
4-cyano-N-[3-(3-nitrophenyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]benzamide
CID 170562660
trimethyl-[2-[(5-nitro-3-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane
CID 68672964

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[3-(1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile?
The IUPAC name of 1-[methyl-[3-(1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile (CID 168728047) is 1-[methyl-[3-(1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile.
What is the SMILES notation for 1-[methyl-[3-(1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile?
The canonical SMILES for 1-[methyl-[3-(1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile is CN(c1ccc2c(c1)c(-c1cnco1)nn2COCC[Si](C)(C)C)C1CCc2cc(C#N)ccc21.
What is the InChIKey of 1-[methyl-[3-(1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile?
The InChIKey is KUZDTOBGRVKTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2Si/c1-31(24-9-6-20-13-19(15-28)5-8-22(20)24)21-7-10-25-23(14-21)27(26-16-29-17-34-26)30-32(25)18-33-11-12-35(2,3)4/h5,7-8,10,13-14,16-17,24H,6,9,11-12,18H2,1-4H3.
What are the key properties of 1-[methyl-[3-(1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile?
1-[methyl-[3-(1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile has a molecular weight of 485.66 g/mol, XLogP of 6.00, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[3-(1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 168728047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).