1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;5-tert-butyl-1-methylsulfonylindazole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;1,3-dimethyl-5-propan-2-ylindazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indazole;(3S)-3-(3-ethyl-5-propan-2-ylindazol-1-yl)butanenitrile;1-methyl-5-propan-2-ylindazole-3-carboxamide;1-(1-phenylethyl)-4-propan-2-ylpyrazole;1-phenyl-4-propan-2-ylpyrazole;2-propan-2-yl-1-benzothiophene;sulfur dioxide

C144H189N21O6S3 — CID 157119772

IUPAC1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;5-tert-butyl-1-methylsulfonylindazole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;1,3-dimethyl-5-propan-2-ylindazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indazole;(3S)-3-(3-ethyl-5-propan-2-ylindazol-1-yl)butanenitrile;1-methyl-5-propan-2-ylindazole-3-carboxamide;1-(1-phenylethyl)-4-propan-2-ylpyrazole;1-phenyl-4-propan-2-ylpyrazole;2-propan-2-yl-1-benzothiophene;sulfur dioxide
SMILESCC(C)(C)c1ccc2c(cnn2S(C)(=O)=O)c1.CC(C)c1cc2ccccc2s1.CC(C)c1ccc2c(c1)c(C(N)=O)nn2C.CC(C)c1ccc2c(cnn2C(C)C)c1.CC(C)c1cnc(N)c(OCC2CC2)c1.CC(C)c1cnn(-c2ccccc2)c1.CC(C)c1cnn(C(C)c2ccccc2)c1.CC[C@@H](C)n1nc(C2CC2)c2cc(C(C)C)ccc21.CCc1nn([C@@H](C)CC#N)c2ccc(C(C)C)cc12.Cc1ccc2c(C(C)C)cn(C)c2c1.Cc1nn(C)c2ccc(C(C)C)cc12.O=S=O
InChIInChI=1S/C17H24N2.C16H21N3.C14H18N2.C13H18N2.C13H17N.C12H15N3O.C12H16N2O2S.C12H18N2O.C12H16N2.C12H14N2.C11H12S.O2S/c1-5-12(4)19-16-9-8-14(11(2)3)10-15(16)17(18-19)13-6-7-13;1-5-15-14-10-13(11(2)3)6-7-16(14)19(18-15)12(4)8-9-17;1-11(2)14-9-15-16(10-14)12(3)13-7-5-4-6-8-13;1-9(2)11-5-6-13-12(7-11)8-14-15(13)10(3)4;1-9(2)12-8-14(4)13-7-10(3)5-6-11(12)13;1-7(2)8-4-5-10-9(6-8)11(12(13)16)14-15(10)3;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)17(4,15)16;1-8(2)10-5-11(12(13)14-6-10)15-7-9-3-4-9;1-8(2)10-5-6-12-11(7-10)9(3)13-14(12)4;1-10(2)11-8-13-14(9-11)12-6-4-3-5-7-12;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-3-2/h8-13H,5-7H2,1-4H3;6-7,10-12H,5,8H2,1-4H3;4-12H,1-3H3;5-10H,1-4H3;5-9H,1-4H3;4-7H,1-3H3,(H2,13,16);5-8H,1-4H3;5-6,8-9H,3-4,7H2,1-2H3,(H2,13,14);5-8H,1-4H3;3-10H,1-2H3;3-8H,1-2H3;/t2*12-;;;;;;;;;;/m10........../s1
InChIKeyAHVGROVPRCWFRA-YFKDDWMESA-N
MW2406.44 g/mol
LogP36.04
Rot. Bonds25

About 1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;5-tert-butyl-1-methylsulfonylindazole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;1,3-dimethyl-5-propan-2-ylindazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indazole;(3S)-3-(3-ethyl-5-propan-2-ylindazol-1-yl)butanenitrile;1-methyl-5-propan-2-ylindazole-3-carboxamide;1-(1-phenylethyl)-4-propan-2-ylpyrazole;1-phenyl-4-propan-2-ylpyrazole;2-propan-2-yl-1-benzothiophene;sulfur dioxide

1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;5-tert-butyl-1-methylsulfonylindazole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;1,3-dimethyl-5-propan-2-ylindazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indazole;(3S)-3-(3-ethyl-5-propan-2-ylindazol-1-yl)butanenitrile;1-methyl-5-propan-2-ylindazole-3-carboxamide;1-(1-phenylethyl)-4-propan-2-ylpyrazole;1-phenyl-4-propan-2-ylpyrazole;2-propan-2-yl-1-benzothiophene;sulfur dioxide (PubChem CID 157119772) has the molecular formula C144H189N21O6S3 and a molecular weight of 2406.44 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;5-tert-butyl-1-methylsulfonylindazole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;1,3-dimethyl-5-propan-2-ylindazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indazole;(3S)-3-(3-ethyl-5-propan-2-ylindazol-1-yl)butanenitrile;1-methyl-5-propan-2-ylindazole-3-carboxamide;1-(1-phenylethyl)-4-propan-2-ylpyrazole;1-phenyl-4-propan-2-ylpyrazole;2-propan-2-yl-1-benzothiophene;sulfur dioxide.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;5-tert-butyl-1-methylsulfonylindazole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;1,3-dimethyl-5-propan-2-ylindazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indazole;(3S)-3-(3-ethyl-5-propan-2-ylindazol-1-yl)butanenitrile;1-methyl-5-propan-2-ylindazole-3-carboxamide;1-(1-phenylethyl)-4-propan-2-ylpyrazole;1-phenyl-4-propan-2-ylpyrazole;2-propan-2-yl-1-benzothiophene;sulfur dioxide
PubChem CID157119772
Molecular FormulaC144H189N21O6S3
Molecular Weight2406.44 g/mol
Exact Mass2404.43
IUPAC Name1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;5-tert-butyl-1-methylsulfonylindazole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;1,3-dimethyl-5-propan-2-ylindazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indazole;(3S)-3-(3-ethyl-5-propan-2-ylindazol-1-yl)butanenitrile;1-methyl-5-propan-2-ylindazole-3-carboxamide;1-(1-phenylethyl)-4-propan-2-ylpyrazole;1-phenyl-4-propan-2-ylpyrazole;2-propan-2-yl-1-benzothiophene;sulfur dioxide
SMILESCC(C)(C)c1ccc2c(cnn2S(C)(=O)=O)c1.CC(C)c1cc2ccccc2s1.CC(C)c1ccc2c(c1)c(C(N)=O)nn2C.CC(C)c1ccc2c(cnn2C(C)C)c1.CC(C)c1cnc(N)c(OCC2CC2)c1.CC(C)c1cnn(-c2ccccc2)c1.CC(C)c1cnn(C(C)c2ccccc2)c1.CC[C@@H](C)n1nc(C2CC2)c2cc(C(C)C)ccc21.CCc1nn([C@@H](C)CC#N)c2ccc(C(C)C)cc12.Cc1ccc2c(C(C)C)cn(C)c2c1.Cc1nn(C)c2ccc(C(C)C)cc12.O=S=O
InChIInChI=1S/C17H24N2.C16H21N3.C14H18N2.C13H18N2.C13H17N.C12H15N3O.C12H16N2O2S.C12H18N2O.C12H16N2.C12H14N2.C11H12S.O2S/c1-5-12(4)19-16-9-8-14(11(2)3)10-15(16)17(18-19)13-6-7-13;1-5-15-14-10-13(11(2)3)6-7-16(14)19(18-15)12(4)8-9-17;1-11(2)14-9-15-16(10-14)12(3)13-7-5-4-6-8-13;1-9(2)11-5-6-13-12(7-11)8-14-15(13)10(3)4;1-9(2)12-8-14(4)13-7-10(3)5-6-11(12)13;1-7(2)8-4-5-10-9(6-8)11(12(13)16)14-15(10)3;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)17(4,15)16;1-8(2)10-5-11(12(13)14-6-10)15-7-9-3-4-9;1-8(2)10-5-6-12-11(7-10)9(3)13-14(12)4;1-10(2)11-8-13-14(9-11)12-6-4-3-5-7-12;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-3-2/h8-13H,5-7H2,1-4H3;6-7,10-12H,5,8H2,1-4H3;4-12H,1-3H3;5-10H,1-4H3;5-9H,1-4H3;4-7H,1-3H3,(H2,13,16);5-8H,1-4H3;5-6,8-9H,3-4,7H2,1-2H3,(H2,13,14);5-8H,1-4H3;3-10H,1-2H3;3-8H,1-2H3;/t2*12-;;;;;;;;;;/m10........../s1
InChIKeyAHVGROVPRCWFRA-YFKDDWMESA-N
XLogP36.04
TPSA330.79 Ų
H-Bond Donors2
H-Bond Acceptors27
Rotatable Bonds25
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002406.44
LogP ≤ 536.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1027

Analyze 1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;5-tert-butyl-1-methylsulfonylindazole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;1,3-dimethyl-5-propan-2-ylindazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indazole;(3S)-3-(3-ethyl-5-propan-2-ylindazol-1-yl)butanenitrile;1-methyl-5-propan-2-ylindazole-3-carboxamide;1-(1-phenylethyl)-4-propan-2-ylpyrazole;1-phenyl-4-propan-2-ylpyrazole;2-propan-2-yl-1-benzothiophene;sulfur dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;5-tert-butyl-1-methylsulfonylindazole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;1,3-dimethyl-5-propan-2-ylindazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indazole;(3S)-3-(3-ethyl-5-propan-2-ylindazol-1-yl)butanenitrile;1-methyl-5-propan-2-ylindazole-3-carboxamide;1-(1-phenylethyl)-4-propan-2-ylpyrazole;1-phenyl-4-propan-2-ylpyrazole;2-propan-2-yl-1-benzothiophene;sulfur dioxide?
The IUPAC name of 1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;5-tert-butyl-1-methylsulfonylindazole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;1,3-dimethyl-5-propan-2-ylindazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indazole;(3S)-3-(3-ethyl-5-propan-2-ylindazol-1-yl)butanenitrile;1-methyl-5-propan-2-ylindazole-3-carboxamide;1-(1-phenylethyl)-4-propan-2-ylpyrazole;1-phenyl-4-propan-2-ylpyrazole;2-propan-2-yl-1-benzothiophene;sulfur dioxide (CID 157119772) is 1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;5-tert-butyl-1-methylsulfonylindazole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;1,3-dimethyl-5-propan-2-ylindazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indazole;(3S)-3-(3-ethyl-5-propan-2-ylindazol-1-yl)butanenitrile;1-methyl-5-propan-2-ylindazole-3-carboxamide;1-(1-phenylethyl)-4-propan-2-ylpyrazole;1-phenyl-4-propan-2-ylpyrazole;2-propan-2-yl-1-benzothiophene;sulfur dioxide.
What is the SMILES notation for 1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;5-tert-butyl-1-methylsulfonylindazole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;1,3-dimethyl-5-propan-2-ylindazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indazole;(3S)-3-(3-ethyl-5-propan-2-ylindazol-1-yl)butanenitrile;1-methyl-5-propan-2-ylindazole-3-carboxamide;1-(1-phenylethyl)-4-propan-2-ylpyrazole;1-phenyl-4-propan-2-ylpyrazole;2-propan-2-yl-1-benzothiophene;sulfur dioxide?
The canonical SMILES for 1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;5-tert-butyl-1-methylsulfonylindazole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;1,3-dimethyl-5-propan-2-ylindazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indazole;(3S)-3-(3-ethyl-5-propan-2-ylindazol-1-yl)butanenitrile;1-methyl-5-propan-2-ylindazole-3-carboxamide;1-(1-phenylethyl)-4-propan-2-ylpyrazole;1-phenyl-4-propan-2-ylpyrazole;2-propan-2-yl-1-benzothiophene;sulfur dioxide is CC(C)(C)c1ccc2c(cnn2S(C)(=O)=O)c1.CC(C)c1cc2ccccc2s1.CC(C)c1ccc2c(c1)c(C(N)=O)nn2C.CC(C)c1ccc2c(cnn2C(C)C)c1.CC(C)c1cnc(N)c(OCC2CC2)c1.CC(C)c1cnn(-c2ccccc2)c1.CC(C)c1cnn(C(C)c2ccccc2)c1.CC[C@@H](C)n1nc(C2CC2)c2cc(C(C)C)ccc21.CCc1nn([C@@H](C)CC#N)c2ccc(C(C)C)cc12.Cc1ccc2c(C(C)C)cn(C)c2c1.Cc1nn(C)c2ccc(C(C)C)cc12.O=S=O.
What is the InChIKey of 1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;5-tert-butyl-1-methylsulfonylindazole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;1,3-dimethyl-5-propan-2-ylindazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indazole;(3S)-3-(3-ethyl-5-propan-2-ylindazol-1-yl)butanenitrile;1-methyl-5-propan-2-ylindazole-3-carboxamide;1-(1-phenylethyl)-4-propan-2-ylpyrazole;1-phenyl-4-propan-2-ylpyrazole;2-propan-2-yl-1-benzothiophene;sulfur dioxide?
The InChIKey is AHVGROVPRCWFRA-YFKDDWMESA-N. The full InChI is InChI=1S/C17H24N2.C16H21N3.C14H18N2.C13H18N2.C13H17N.C12H15N3O.C12H16N2O2S.C12H18N2O.C12H16N2.C12H14N2.C11H12S.O2S/c1-5-12(4)19-16-9-8-14(11(2)3)10-15(16)17(18-19)13-6-7-13;1-5-15-14-10-13(11(2)3)6-7-16(14)19(18-15)12(4)8-9-17;1-11(2)14-9-15-16(10-14)12(3)13-7-5-4-6-8-13;1-9(2)11-5-6-13-12(7-11)8-14-15(13)10(3)4;1-9(2)12-8-14(4)13-7-10(3)5-6-11(12)13;1-7(2)8-4-5-10-9(6-8)11(12(13)16)14-15(10)3;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)17(4,15)16;1-8(2)10-5-11(12(13)14-6-10)15-7-9-3-4-9;1-8(2)10-5-6-12-11(7-10)9(3)13-14(12)4;1-10(2)11-8-13-14(9-11)12-6-4-3-5-7-12;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-3-2/h8-13H,5-7H2,1-4H3;6-7,10-12H,5,8H2,1-4H3;4-12H,1-3H3;5-10H,1-4H3;5-9H,1-4H3;4-7H,1-3H3,(H2,13,16);5-8H,1-4H3;5-6,8-9H,3-4,7H2,1-2H3,(H2,13,14);5-8H,1-4H3;3-10H,1-2H3;3-8H,1-2H3;/t2*12-;;;;;;;;;;/m10........../s1.
What are the key properties of 1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;5-tert-butyl-1-methylsulfonylindazole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;1,3-dimethyl-5-propan-2-ylindazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indazole;(3S)-3-(3-ethyl-5-propan-2-ylindazol-1-yl)butanenitrile;1-methyl-5-propan-2-ylindazole-3-carboxamide;1-(1-phenylethyl)-4-propan-2-ylpyrazole;1-phenyl-4-propan-2-ylpyrazole;2-propan-2-yl-1-benzothiophene;sulfur dioxide?
1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;5-tert-butyl-1-methylsulfonylindazole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;1,3-dimethyl-5-propan-2-ylindazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indazole;(3S)-3-(3-ethyl-5-propan-2-ylindazol-1-yl)butanenitrile;1-methyl-5-propan-2-ylindazole-3-carboxamide;1-(1-phenylethyl)-4-propan-2-ylpyrazole;1-phenyl-4-propan-2-ylpyrazole;2-propan-2-yl-1-benzothiophene;sulfur dioxide has a molecular weight of 2406.44 g/mol, XLogP of 36.04, 25 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;5-tert-butyl-1-methylsulfonylindazole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;1,3-dimethyl-5-propan-2-ylindazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indazole;(3S)-3-(3-ethyl-5-propan-2-ylindazol-1-yl)butanenitrile;1-methyl-5-propan-2-ylindazole-3-carboxamide;1-(1-phenylethyl)-4-propan-2-ylpyrazole;1-phenyl-4-propan-2-ylpyrazole;2-propan-2-yl-1-benzothiophene;sulfur dioxide is sourced from PubChem (CID 157119772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).