5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole;methane

C87H118Cl2N10O3 — CID 159211249

IUPAC5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole;methane
SMILESC.C.C.C=C1Cc2cc(C(C)(C)C)cc(Cl)c2N1.CC(C)(C)c1cc(Cl)c2[nH]ncc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)CC(=O)N2.CC(C)(C)c1ccc2c(c1)CC(=O)N2.Cc1cc(C(C)(C)C)cc2c1NC(=O)C2.Cc1cc(C(C)(C)C)cc2cn[nH]c12
InChIInChI=1S/C13H16ClN.C13H17NO.C12H16N2.2C12H15NO.C11H13ClN2.C11H14N2.3CH4/c1-8-5-9-6-10(13(2,3)4)7-11(14)12(9)15-8;1-8-5-10(13(2,3)4)6-9-7-11(15)14-12(8)9;1-8-5-10(12(2,3)4)6-9-7-13-14-11(8)9;2*1-12(2,3)9-4-5-10-8(6-9)7-11(14)13-10;1-11(2,3)8-4-7-6-13-14-10(7)9(12)5-8;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;;;/h6-7,15H,1,5H2,2-4H3;5-6H,7H2,1-4H3,(H,14,15);5-7H,1-4H3,(H,13,14);2*4-6H,7H2,1-3H3,(H,13,14);4-6H,1-3H3,(H,13,14);4-7H,1-3H3,(H,12,13);3*1H4
InChIKeyKQNCQVOECIYTJY-UHFFFAOYSA-N
MW1422.87 g/mol
LogP23.32
Rot. Bonds

About 5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole;methane

5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole;methane (PubChem CID 159211249) has the molecular formula C87H118Cl2N10O3 and a molecular weight of 1422.87 g/mol. Its IUPAC name is 5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole;methane.

Molecular Properties

Compound Name5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole;methane
PubChem CID159211249
Molecular FormulaC87H118Cl2N10O3
Molecular Weight1422.87 g/mol
Exact Mass1420.88
IUPAC Name5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole;methane
SMILESC.C.C.C=C1Cc2cc(C(C)(C)C)cc(Cl)c2N1.CC(C)(C)c1cc(Cl)c2[nH]ncc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)CC(=O)N2.CC(C)(C)c1ccc2c(c1)CC(=O)N2.Cc1cc(C(C)(C)C)cc2c1NC(=O)C2.Cc1cc(C(C)(C)C)cc2cn[nH]c12
InChIInChI=1S/C13H16ClN.C13H17NO.C12H16N2.2C12H15NO.C11H13ClN2.C11H14N2.3CH4/c1-8-5-9-6-10(13(2,3)4)7-11(14)12(9)15-8;1-8-5-10(13(2,3)4)6-9-7-11(15)14-12(8)9;1-8-5-10(12(2,3)4)6-9-7-13-14-11(8)9;2*1-12(2,3)9-4-5-10-8(6-9)7-11(14)13-10;1-11(2,3)8-4-7-6-13-14-10(7)9(12)5-8;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;;;/h6-7,15H,1,5H2,2-4H3;5-6H,7H2,1-4H3,(H,14,15);5-7H,1-4H3,(H,13,14);2*4-6H,7H2,1-3H3,(H,13,14);4-6H,1-3H3,(H,13,14);4-7H,1-3H3,(H,12,13);3*1H4
InChIKeyKQNCQVOECIYTJY-UHFFFAOYSA-N
XLogP23.32
TPSA185.37 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001422.87
LogP ≤ 523.32
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze 5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole;methane with MolForge

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Related Compounds

6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-7-methyl-1H-indazole;methane
CID 157217283
5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole
CID 157830709
5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-2-methylidene-1,3-dihydroindole;5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1H-indazole;5-tert-butyl-7-methyl-2-methylidene-1,3-dihydroindole
CID 158292425
5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;5-tert-butyl-7-fluoro-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole
CID 158418890
1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone
CID 159332804
2-(7-chloro-1H-indazol-5-yl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-1H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 159407428
3-(4-chlorophenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-cyclohexyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;cyclohexyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;2-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone
CID 159789423
cyclohexyl-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2,2-dimethyl-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;2-(3-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]ethanone;1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 159896561
5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-2-methylidene-1,3-dihydroindole;5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole
CID 160001925
5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole
CID 160481818
5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole
CID 160521901
2-cyclohexyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]ethanone;cyclohexyl-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-methyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]butan-1-one;2-phenyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]ethanone;3-phenyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 161238189

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole;methane?
The IUPAC name of 5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole;methane (CID 159211249) is 5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole;methane.
What is the SMILES notation for 5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole;methane?
The canonical SMILES for 5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole;methane is C.C.C.C=C1Cc2cc(C(C)(C)C)cc(Cl)c2N1.CC(C)(C)c1cc(Cl)c2[nH]ncc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)CC(=O)N2.CC(C)(C)c1ccc2c(c1)CC(=O)N2.Cc1cc(C(C)(C)C)cc2c1NC(=O)C2.Cc1cc(C(C)(C)C)cc2cn[nH]c12.
What is the InChIKey of 5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole;methane?
The InChIKey is KQNCQVOECIYTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN.C13H17NO.C12H16N2.2C12H15NO.C11H13ClN2.C11H14N2.3CH4/c1-8-5-9-6-10(13(2,3)4)7-11(14)12(9)15-8;1-8-5-10(13(2,3)4)6-9-7-11(15)14-12(8)9;1-8-5-10(12(2,3)4)6-9-7-13-14-11(8)9;2*1-12(2,3)9-4-5-10-8(6-9)7-11(14)13-10;1-11(2,3)8-4-7-6-13-14-10(7)9(12)5-8;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;;;/h6-7,15H,1,5H2,2-4H3;5-6H,7H2,1-4H3,(H,14,15);5-7H,1-4H3,(H,13,14);2*4-6H,7H2,1-3H3,(H,13,14);4-6H,1-3H3,(H,13,14);4-7H,1-3H3,(H,12,13);3*1H4.
What are the key properties of 5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole;methane?
5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole;methane has a molecular weight of 1422.87 g/mol, XLogP of 23.32, 0 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole;methane is sourced from PubChem (CID 159211249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).