4-methyl-2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;7-methyl-2-methylidene-5-propan-2-yl-1,3-dihydroindole;7-methyl-5-propan-2-yl-1,3-dihydroindol-2-one;bis(7-methyl-5-propan-2-yl-1H-indazole);7-methyl-5-propan-2-yl-1H-indole

C71H90N8O2 — CID 157160094

IUPAC4-methyl-2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;7-methyl-2-methylidene-5-propan-2-yl-1,3-dihydroindole;7-methyl-5-propan-2-yl-1,3-dihydroindol-2-one;bis(7-methyl-5-propan-2-yl-1H-indazole);7-methyl-5-propan-2-yl-1H-indole
SMILESC=C1Cc2cc(C(C)C)cc(C)c2N1.C=C1Nc2c(C)cc(C(C)C)cc2O1.Cc1cc(C(C)C)cc2c1NC(=O)C2.Cc1cc(C(C)C)cc2cc[nH]c12.Cc1cc(C(C)C)cc2cn[nH]c12.Cc1cc(C(C)C)cc2cn[nH]c12
InChIInChI=1S/C13H17N.2C12H15NO.C12H15N.2C11H14N2/c1-8(2)11-5-9(3)13-12(7-11)6-10(4)14-13;1-7(2)10-5-8(3)12-11(6-10)14-9(4)13-12;1-7(2)9-4-8(3)12-10(5-9)6-11(14)13-12;1-8(2)11-6-9(3)12-10(7-11)4-5-13-12;2*1-7(2)9-4-8(3)11-10(5-9)6-12-13-11/h5,7-8,14H,4,6H2,1-3H3;5-7,13H,4H2,1-3H3;4-5,7H,6H2,1-3H3,(H,13,14);4-8,13H,1-3H3;2*4-7H,1-3H3,(H,12,13)
InChIKeyAMGRCOFKTUGBNK-UHFFFAOYSA-N
MW1087.55 g/mol
LogP19.20
Rot. Bonds6

About 4-methyl-2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;7-methyl-2-methylidene-5-propan-2-yl-1,3-dihydroindole;7-methyl-5-propan-2-yl-1,3-dihydroindol-2-one;bis(7-methyl-5-propan-2-yl-1H-indazole);7-methyl-5-propan-2-yl-1H-indole

4-methyl-2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;7-methyl-2-methylidene-5-propan-2-yl-1,3-dihydroindole;7-methyl-5-propan-2-yl-1,3-dihydroindol-2-one;bis(7-methyl-5-propan-2-yl-1H-indazole);7-methyl-5-propan-2-yl-1H-indole (PubChem CID 157160094) has the molecular formula C71H90N8O2 and a molecular weight of 1087.55 g/mol. Its IUPAC name is 4-methyl-2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;7-methyl-2-methylidene-5-propan-2-yl-1,3-dihydroindole;7-methyl-5-propan-2-yl-1,3-dihydroindol-2-one;bis(7-methyl-5-propan-2-yl-1H-indazole);7-methyl-5-propan-2-yl-1H-indole.

Molecular Properties

Compound Name4-methyl-2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;7-methyl-2-methylidene-5-propan-2-yl-1,3-dihydroindole;7-methyl-5-propan-2-yl-1,3-dihydroindol-2-one;bis(7-methyl-5-propan-2-yl-1H-indazole);7-methyl-5-propan-2-yl-1H-indole
PubChem CID157160094
Molecular FormulaC71H90N8O2
Molecular Weight1087.55 g/mol
Exact Mass1086.72
IUPAC Name4-methyl-2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;7-methyl-2-methylidene-5-propan-2-yl-1,3-dihydroindole;7-methyl-5-propan-2-yl-1,3-dihydroindol-2-one;bis(7-methyl-5-propan-2-yl-1H-indazole);7-methyl-5-propan-2-yl-1H-indole
SMILESC=C1Cc2cc(C(C)C)cc(C)c2N1.C=C1Nc2c(C)cc(C(C)C)cc2O1.Cc1cc(C(C)C)cc2c1NC(=O)C2.Cc1cc(C(C)C)cc2cc[nH]c12.Cc1cc(C(C)C)cc2cn[nH]c12.Cc1cc(C(C)C)cc2cn[nH]c12
InChIInChI=1S/C13H17N.2C12H15NO.C12H15N.2C11H14N2/c1-8(2)11-5-9(3)13-12(7-11)6-10(4)14-13;1-7(2)10-5-8(3)12-11(6-10)14-9(4)13-12;1-7(2)9-4-8(3)12-10(5-9)6-11(14)13-12;1-8(2)11-6-9(3)12-10(7-11)4-5-13-12;2*1-7(2)9-4-8(3)11-10(5-9)6-12-13-11/h5,7-8,14H,4,6H2,1-3H3;5-7,13H,4H2,1-3H3;4-5,7H,6H2,1-3H3,(H,13,14);4-8,13H,1-3H3;2*4-7H,1-3H3,(H,12,13)
InChIKeyAMGRCOFKTUGBNK-UHFFFAOYSA-N
XLogP19.20
TPSA135.54 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001087.55
LogP ≤ 519.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;7-methyl-2-methylidene-5-propan-2-yl-1,3-dihydroindole;7-methyl-5-propan-2-yl-1,3-dihydroindol-2-one;bis(7-methyl-5-propan-2-yl-1H-indazole);7-methyl-5-propan-2-yl-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[1-[4-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenoxy]butyl-methylamino]-3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-indol-2-yl]indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137088519
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 137113875
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137113987
2-cyclohexyl-N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide
CID 137113997
2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide
CID 137115419
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137115883
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 137116223
2-cyclohexyl-N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide
CID 137116467
5-(1H-indol-4-yl)-1,4,6,7-tetrahydroindazole-5-carbonitrile;5-(7-methoxy-1H-indol-4-yl)-1,4,6,7-tetrahydroindazole-5-carbonitrile;5-(1-methylindol-4-yl)-1,4,6,7-tetrahydroindazole-5-carbonitrile
CID 87639056
1-[(2S)-1-[[6-(furan-3-yl)-5-[3-(1H-pyrazol-4-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[6-(furan-3-yl)-5-[3-(1H-pyrrol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine
CID 136628319
3-[[benzyl(methyl)amino]methyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide;N-[(3-methoxyphenyl)methyl]-3-[(2-phenylpyrrolidin-1-yl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
CID 144176659
N-[6-[4-[4-(1H-indol-3-ylcarbamoyl)pyrazol-1-yl]-3-methoxyphenyl]-1H-indol-3-yl]-1-phenylpyrazole-4-carboxamide
CID 154652846

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;7-methyl-2-methylidene-5-propan-2-yl-1,3-dihydroindole;7-methyl-5-propan-2-yl-1,3-dihydroindol-2-one;bis(7-methyl-5-propan-2-yl-1H-indazole);7-methyl-5-propan-2-yl-1H-indole?
The IUPAC name of 4-methyl-2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;7-methyl-2-methylidene-5-propan-2-yl-1,3-dihydroindole;7-methyl-5-propan-2-yl-1,3-dihydroindol-2-one;bis(7-methyl-5-propan-2-yl-1H-indazole);7-methyl-5-propan-2-yl-1H-indole (CID 157160094) is 4-methyl-2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;7-methyl-2-methylidene-5-propan-2-yl-1,3-dihydroindole;7-methyl-5-propan-2-yl-1,3-dihydroindol-2-one;bis(7-methyl-5-propan-2-yl-1H-indazole);7-methyl-5-propan-2-yl-1H-indole.
What is the SMILES notation for 4-methyl-2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;7-methyl-2-methylidene-5-propan-2-yl-1,3-dihydroindole;7-methyl-5-propan-2-yl-1,3-dihydroindol-2-one;bis(7-methyl-5-propan-2-yl-1H-indazole);7-methyl-5-propan-2-yl-1H-indole?
The canonical SMILES for 4-methyl-2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;7-methyl-2-methylidene-5-propan-2-yl-1,3-dihydroindole;7-methyl-5-propan-2-yl-1,3-dihydroindol-2-one;bis(7-methyl-5-propan-2-yl-1H-indazole);7-methyl-5-propan-2-yl-1H-indole is C=C1Cc2cc(C(C)C)cc(C)c2N1.C=C1Nc2c(C)cc(C(C)C)cc2O1.Cc1cc(C(C)C)cc2c1NC(=O)C2.Cc1cc(C(C)C)cc2cc[nH]c12.Cc1cc(C(C)C)cc2cn[nH]c12.Cc1cc(C(C)C)cc2cn[nH]c12.
What is the InChIKey of 4-methyl-2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;7-methyl-2-methylidene-5-propan-2-yl-1,3-dihydroindole;7-methyl-5-propan-2-yl-1,3-dihydroindol-2-one;bis(7-methyl-5-propan-2-yl-1H-indazole);7-methyl-5-propan-2-yl-1H-indole?
The InChIKey is AMGRCOFKTUGBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.2C12H15NO.C12H15N.2C11H14N2/c1-8(2)11-5-9(3)13-12(7-11)6-10(4)14-13;1-7(2)10-5-8(3)12-11(6-10)14-9(4)13-12;1-7(2)9-4-8(3)12-10(5-9)6-11(14)13-12;1-8(2)11-6-9(3)12-10(7-11)4-5-13-12;2*1-7(2)9-4-8(3)11-10(5-9)6-12-13-11/h5,7-8,14H,4,6H2,1-3H3;5-7,13H,4H2,1-3H3;4-5,7H,6H2,1-3H3,(H,13,14);4-8,13H,1-3H3;2*4-7H,1-3H3,(H,12,13).
What are the key properties of 4-methyl-2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;7-methyl-2-methylidene-5-propan-2-yl-1,3-dihydroindole;7-methyl-5-propan-2-yl-1,3-dihydroindol-2-one;bis(7-methyl-5-propan-2-yl-1H-indazole);7-methyl-5-propan-2-yl-1H-indole?
4-methyl-2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;7-methyl-2-methylidene-5-propan-2-yl-1,3-dihydroindole;7-methyl-5-propan-2-yl-1,3-dihydroindol-2-one;bis(7-methyl-5-propan-2-yl-1H-indazole);7-methyl-5-propan-2-yl-1H-indole has a molecular weight of 1087.55 g/mol, XLogP of 19.20, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;7-methyl-2-methylidene-5-propan-2-yl-1,3-dihydroindole;7-methyl-5-propan-2-yl-1,3-dihydroindol-2-one;bis(7-methyl-5-propan-2-yl-1H-indazole);7-methyl-5-propan-2-yl-1H-indole is sourced from PubChem (CID 157160094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).