1-[1,6-di(propan-2-yl)indazol-4-yl]ethenol;4-ethyl-7-(1-hydroxyethenyl)-5-propan-2-yl-1,4-benzoxazin-3-one;1-ethyl-3-propan-2-ylindole-7-carboxylic acid;1-[1-(2-methoxyethyl)-6-propan-2-ylindazol-4-yl]ethenol;1-(1-methyl-5-propan-2-ylindazol-7-yl)ethenol;1-(2-morpholin-4-ylethyl)-3-propan-2-ylindole-6-carboxylic acid;1-(2-morpholin-4-ylethyl)-4-propan-2-ylindole-6-carboxylic acid

C108H140N12O15 — CID 159387729

IUPAC1-[1,6-di(propan-2-yl)indazol-4-yl]ethenol;4-ethyl-7-(1-hydroxyethenyl)-5-propan-2-yl-1,4-benzoxazin-3-one;1-ethyl-3-propan-2-ylindole-7-carboxylic acid;1-[1-(2-methoxyethyl)-6-propan-2-ylindazol-4-yl]ethenol;1-(1-methyl-5-propan-2-ylindazol-7-yl)ethenol;1-(2-morpholin-4-ylethyl)-3-propan-2-ylindole-6-carboxylic acid;1-(2-morpholin-4-ylethyl)-4-propan-2-ylindole-6-carboxylic acid
SMILESC=C(O)c1cc(C(C)C)cc2c1cnn2C(C)C.C=C(O)c1cc(C(C)C)cc2c1cnn2CCOC.C=C(O)c1cc(C(C)C)cc2cnn(C)c12.C=C(O)c1cc2c(c(C(C)C)c1)N(CC)C(=O)CO2.CC(C)c1cc(C(=O)O)cc2c1ccn2CCN1CCOCC1.CC(C)c1cn(CCN2CCOCC2)c2cc(C(=O)O)ccc12.CCn1cc(C(C)C)c2cccc(C(=O)O)c21
InChIInChI=1S/2C18H24N2O3.C15H20N2O2.C15H20N2O.C15H19NO3.C14H17NO2.C13H16N2O/c1-13(2)16-11-14(18(21)22)12-17-15(16)3-4-20(17)6-5-19-7-9-23-10-8-19;1-13(2)16-12-20(6-5-19-7-9-23-10-8-19)17-11-14(18(21)22)3-4-15(16)17;1-10(2)12-7-13(11(3)18)14-9-16-17(5-6-19-4)15(14)8-12;1-9(2)12-6-13(11(5)18)14-8-16-17(10(3)4)15(14)7-12;1-5-16-14(18)8-19-13-7-11(10(4)17)6-12(9(2)3)15(13)16;1-4-15-8-12(9(2)3)10-6-5-7-11(13(10)15)14(16)17;1-8(2)10-5-11-7-14-15(4)13(11)12(6-10)9(3)16/h2*3-4,11-13H,5-10H2,1-2H3,(H,21,22);7-10,18H,3,5-6H2,1-2,4H3;6-10,18H,5H2,1-4H3;6-7,9,17H,4-5,8H2,1-3H3;5-9H,4H2,1-3H3,(H,16,17);5-8,16H,3H2,1-2,4H3
InChIKeyLLSGBIUHVMXMTA-UHFFFAOYSA-N
MW1846.38 g/mol
LogP22.99
Rot. Bonds26

About 1-[1,6-di(propan-2-yl)indazol-4-yl]ethenol;4-ethyl-7-(1-hydroxyethenyl)-5-propan-2-yl-1,4-benzoxazin-3-one;1-ethyl-3-propan-2-ylindole-7-carboxylic acid;1-[1-(2-methoxyethyl)-6-propan-2-ylindazol-4-yl]ethenol;1-(1-methyl-5-propan-2-ylindazol-7-yl)ethenol;1-(2-morpholin-4-ylethyl)-3-propan-2-ylindole-6-carboxylic acid;1-(2-morpholin-4-ylethyl)-4-propan-2-ylindole-6-carboxylic acid

1-[1,6-di(propan-2-yl)indazol-4-yl]ethenol;4-ethyl-7-(1-hydroxyethenyl)-5-propan-2-yl-1,4-benzoxazin-3-one;1-ethyl-3-propan-2-ylindole-7-carboxylic acid;1-[1-(2-methoxyethyl)-6-propan-2-ylindazol-4-yl]ethenol;1-(1-methyl-5-propan-2-ylindazol-7-yl)ethenol;1-(2-morpholin-4-ylethyl)-3-propan-2-ylindole-6-carboxylic acid;1-(2-morpholin-4-ylethyl)-4-propan-2-ylindole-6-carboxylic acid (PubChem CID 159387729) has the molecular formula C108H140N12O15 and a molecular weight of 1846.38 g/mol. Its IUPAC name is 1-[1,6-di(propan-2-yl)indazol-4-yl]ethenol;4-ethyl-7-(1-hydroxyethenyl)-5-propan-2-yl-1,4-benzoxazin-3-one;1-ethyl-3-propan-2-ylindole-7-carboxylic acid;1-[1-(2-methoxyethyl)-6-propan-2-ylindazol-4-yl]ethenol;1-(1-methyl-5-propan-2-ylindazol-7-yl)ethenol;1-(2-morpholin-4-ylethyl)-3-propan-2-ylindole-6-carboxylic acid;1-(2-morpholin-4-ylethyl)-4-propan-2-ylindole-6-carboxylic acid.

Molecular Properties

Compound Name1-[1,6-di(propan-2-yl)indazol-4-yl]ethenol;4-ethyl-7-(1-hydroxyethenyl)-5-propan-2-yl-1,4-benzoxazin-3-one;1-ethyl-3-propan-2-ylindole-7-carboxylic acid;1-[1-(2-methoxyethyl)-6-propan-2-ylindazol-4-yl]ethenol;1-(1-methyl-5-propan-2-ylindazol-7-yl)ethenol;1-(2-morpholin-4-ylethyl)-3-propan-2-ylindole-6-carboxylic acid;1-(2-morpholin-4-ylethyl)-4-propan-2-ylindole-6-carboxylic acid
PubChem CID159387729
Molecular FormulaC108H140N12O15
Molecular Weight1846.38 g/mol
Exact Mass1845.06
IUPAC Name1-[1,6-di(propan-2-yl)indazol-4-yl]ethenol;4-ethyl-7-(1-hydroxyethenyl)-5-propan-2-yl-1,4-benzoxazin-3-one;1-ethyl-3-propan-2-ylindole-7-carboxylic acid;1-[1-(2-methoxyethyl)-6-propan-2-ylindazol-4-yl]ethenol;1-(1-methyl-5-propan-2-ylindazol-7-yl)ethenol;1-(2-morpholin-4-ylethyl)-3-propan-2-ylindole-6-carboxylic acid;1-(2-morpholin-4-ylethyl)-4-propan-2-ylindole-6-carboxylic acid
SMILESC=C(O)c1cc(C(C)C)cc2c1cnn2C(C)C.C=C(O)c1cc(C(C)C)cc2c1cnn2CCOC.C=C(O)c1cc(C(C)C)cc2cnn(C)c12.C=C(O)c1cc2c(c(C(C)C)c1)N(CC)C(=O)CO2.CC(C)c1cc(C(=O)O)cc2c1ccn2CCN1CCOCC1.CC(C)c1cn(CCN2CCOCC2)c2cc(C(=O)O)ccc12.CCn1cc(C(C)C)c2cccc(C(=O)O)c21
InChIInChI=1S/2C18H24N2O3.C15H20N2O2.C15H20N2O.C15H19NO3.C14H17NO2.C13H16N2O/c1-13(2)16-11-14(18(21)22)12-17-15(16)3-4-20(17)6-5-19-7-9-23-10-8-19;1-13(2)16-12-20(6-5-19-7-9-23-10-8-19)17-11-14(18(21)22)3-4-15(16)17;1-10(2)12-7-13(11(3)18)14-9-16-17(5-6-19-4)15(14)8-12;1-9(2)12-6-13(11(5)18)14-8-16-17(10(3)4)15(14)7-12;1-5-16-14(18)8-19-13-7-11(10(4)17)6-12(9(2)3)15(13)16;1-4-15-8-12(9(2)3)10-6-5-7-11(13(10)15)14(16)17;1-8(2)10-5-11-7-14-15(4)13(11)12(6-10)9(3)16/h2*3-4,11-13H,5-10H2,1-2H3,(H,21,22);7-10,18H,3,5-6H2,1-2,4H3;6-10,18H,5H2,1-4H3;6-7,9,17H,4-5,8H2,1-3H3;5-9H,4H2,1-3H3,(H,16,17);5-8,16H,3H2,1-2,4H3
InChIKeyLLSGBIUHVMXMTA-UHFFFAOYSA-N
XLogP22.99
TPSA324.78 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds26
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001846.38
LogP ≤ 522.99
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-[1,6-di(propan-2-yl)indazol-4-yl]ethenol;4-ethyl-7-(1-hydroxyethenyl)-5-propan-2-yl-1,4-benzoxazin-3-one;1-ethyl-3-propan-2-ylindole-7-carboxylic acid;1-[1-(2-methoxyethyl)-6-propan-2-ylindazol-4-yl]ethenol;1-(1-methyl-5-propan-2-ylindazol-7-yl)ethenol;1-(2-morpholin-4-ylethyl)-3-propan-2-ylindole-6-carboxylic acid;1-(2-morpholin-4-ylethyl)-4-propan-2-ylindole-6-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1,6-di(propan-2-yl)indazol-4-yl]ethenol;4-ethyl-7-(1-hydroxyethenyl)-5-propan-2-yl-1,4-benzoxazin-3-one;1-ethyl-3-propan-2-ylindole-7-carboxylic acid;1-[1-(2-methoxyethyl)-6-propan-2-ylindazol-4-yl]ethenol;1-(1-methyl-5-propan-2-ylindazol-7-yl)ethenol;1-(2-morpholin-4-ylethyl)-3-propan-2-ylindole-6-carboxylic acid;1-(2-morpholin-4-ylethyl)-4-propan-2-ylindole-6-carboxylic acid?
The IUPAC name of 1-[1,6-di(propan-2-yl)indazol-4-yl]ethenol;4-ethyl-7-(1-hydroxyethenyl)-5-propan-2-yl-1,4-benzoxazin-3-one;1-ethyl-3-propan-2-ylindole-7-carboxylic acid;1-[1-(2-methoxyethyl)-6-propan-2-ylindazol-4-yl]ethenol;1-(1-methyl-5-propan-2-ylindazol-7-yl)ethenol;1-(2-morpholin-4-ylethyl)-3-propan-2-ylindole-6-carboxylic acid;1-(2-morpholin-4-ylethyl)-4-propan-2-ylindole-6-carboxylic acid (CID 159387729) is 1-[1,6-di(propan-2-yl)indazol-4-yl]ethenol;4-ethyl-7-(1-hydroxyethenyl)-5-propan-2-yl-1,4-benzoxazin-3-one;1-ethyl-3-propan-2-ylindole-7-carboxylic acid;1-[1-(2-methoxyethyl)-6-propan-2-ylindazol-4-yl]ethenol;1-(1-methyl-5-propan-2-ylindazol-7-yl)ethenol;1-(2-morpholin-4-ylethyl)-3-propan-2-ylindole-6-carboxylic acid;1-(2-morpholin-4-ylethyl)-4-propan-2-ylindole-6-carboxylic acid.
What is the SMILES notation for 1-[1,6-di(propan-2-yl)indazol-4-yl]ethenol;4-ethyl-7-(1-hydroxyethenyl)-5-propan-2-yl-1,4-benzoxazin-3-one;1-ethyl-3-propan-2-ylindole-7-carboxylic acid;1-[1-(2-methoxyethyl)-6-propan-2-ylindazol-4-yl]ethenol;1-(1-methyl-5-propan-2-ylindazol-7-yl)ethenol;1-(2-morpholin-4-ylethyl)-3-propan-2-ylindole-6-carboxylic acid;1-(2-morpholin-4-ylethyl)-4-propan-2-ylindole-6-carboxylic acid?
The canonical SMILES for 1-[1,6-di(propan-2-yl)indazol-4-yl]ethenol;4-ethyl-7-(1-hydroxyethenyl)-5-propan-2-yl-1,4-benzoxazin-3-one;1-ethyl-3-propan-2-ylindole-7-carboxylic acid;1-[1-(2-methoxyethyl)-6-propan-2-ylindazol-4-yl]ethenol;1-(1-methyl-5-propan-2-ylindazol-7-yl)ethenol;1-(2-morpholin-4-ylethyl)-3-propan-2-ylindole-6-carboxylic acid;1-(2-morpholin-4-ylethyl)-4-propan-2-ylindole-6-carboxylic acid is C=C(O)c1cc(C(C)C)cc2c1cnn2C(C)C.C=C(O)c1cc(C(C)C)cc2c1cnn2CCOC.C=C(O)c1cc(C(C)C)cc2cnn(C)c12.C=C(O)c1cc2c(c(C(C)C)c1)N(CC)C(=O)CO2.CC(C)c1cc(C(=O)O)cc2c1ccn2CCN1CCOCC1.CC(C)c1cn(CCN2CCOCC2)c2cc(C(=O)O)ccc12.CCn1cc(C(C)C)c2cccc(C(=O)O)c21.
What is the InChIKey of 1-[1,6-di(propan-2-yl)indazol-4-yl]ethenol;4-ethyl-7-(1-hydroxyethenyl)-5-propan-2-yl-1,4-benzoxazin-3-one;1-ethyl-3-propan-2-ylindole-7-carboxylic acid;1-[1-(2-methoxyethyl)-6-propan-2-ylindazol-4-yl]ethenol;1-(1-methyl-5-propan-2-ylindazol-7-yl)ethenol;1-(2-morpholin-4-ylethyl)-3-propan-2-ylindole-6-carboxylic acid;1-(2-morpholin-4-ylethyl)-4-propan-2-ylindole-6-carboxylic acid?
The InChIKey is LLSGBIUHVMXMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H24N2O3.C15H20N2O2.C15H20N2O.C15H19NO3.C14H17NO2.C13H16N2O/c1-13(2)16-11-14(18(21)22)12-17-15(16)3-4-20(17)6-5-19-7-9-23-10-8-19;1-13(2)16-12-20(6-5-19-7-9-23-10-8-19)17-11-14(18(21)22)3-4-15(16)17;1-10(2)12-7-13(11(3)18)14-9-16-17(5-6-19-4)15(14)8-12;1-9(2)12-6-13(11(5)18)14-8-16-17(10(3)4)15(14)7-12;1-5-16-14(18)8-19-13-7-11(10(4)17)6-12(9(2)3)15(13)16;1-4-15-8-12(9(2)3)10-6-5-7-11(13(10)15)14(16)17;1-8(2)10-5-11-7-14-15(4)13(11)12(6-10)9(3)16/h2*3-4,11-13H,5-10H2,1-2H3,(H,21,22);7-10,18H,3,5-6H2,1-2,4H3;6-10,18H,5H2,1-4H3;6-7,9,17H,4-5,8H2,1-3H3;5-9H,4H2,1-3H3,(H,16,17);5-8,16H,3H2,1-2,4H3.
What are the key properties of 1-[1,6-di(propan-2-yl)indazol-4-yl]ethenol;4-ethyl-7-(1-hydroxyethenyl)-5-propan-2-yl-1,4-benzoxazin-3-one;1-ethyl-3-propan-2-ylindole-7-carboxylic acid;1-[1-(2-methoxyethyl)-6-propan-2-ylindazol-4-yl]ethenol;1-(1-methyl-5-propan-2-ylindazol-7-yl)ethenol;1-(2-morpholin-4-ylethyl)-3-propan-2-ylindole-6-carboxylic acid;1-(2-morpholin-4-ylethyl)-4-propan-2-ylindole-6-carboxylic acid?
1-[1,6-di(propan-2-yl)indazol-4-yl]ethenol;4-ethyl-7-(1-hydroxyethenyl)-5-propan-2-yl-1,4-benzoxazin-3-one;1-ethyl-3-propan-2-ylindole-7-carboxylic acid;1-[1-(2-methoxyethyl)-6-propan-2-ylindazol-4-yl]ethenol;1-(1-methyl-5-propan-2-ylindazol-7-yl)ethenol;1-(2-morpholin-4-ylethyl)-3-propan-2-ylindole-6-carboxylic acid;1-(2-morpholin-4-ylethyl)-4-propan-2-ylindole-6-carboxylic acid has a molecular weight of 1846.38 g/mol, XLogP of 22.99, 26 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,6-di(propan-2-yl)indazol-4-yl]ethenol;4-ethyl-7-(1-hydroxyethenyl)-5-propan-2-yl-1,4-benzoxazin-3-one;1-ethyl-3-propan-2-ylindole-7-carboxylic acid;1-[1-(2-methoxyethyl)-6-propan-2-ylindazol-4-yl]ethenol;1-(1-methyl-5-propan-2-ylindazol-7-yl)ethenol;1-(2-morpholin-4-ylethyl)-3-propan-2-ylindole-6-carboxylic acid;1-(2-morpholin-4-ylethyl)-4-propan-2-ylindole-6-carboxylic acid is sourced from PubChem (CID 159387729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).