ethyl 3-(5-propan-2-ylindazol-2-yl)propanoate;methyl 3-methoxy-4-[(6-propan-2-ylindazol-2-yl)methyl]benzoate;2-methyl-6-propan-2-ylindazole;N-methyl-3-(5-propan-2-ylindazol-2-yl)propanamide

C60H75N9O6 — CID 158166108

IUPACethyl 3-(5-propan-2-ylindazol-2-yl)propanoate;methyl 3-methoxy-4-[(6-propan-2-ylindazol-2-yl)methyl]benzoate;2-methyl-6-propan-2-ylindazole;N-methyl-3-(5-propan-2-ylindazol-2-yl)propanamide
SMILESCC(C)c1ccc2cn(C)nc2c1.CCOC(=O)CCn1cc2cc(C(C)C)ccc2n1.CNC(=O)CCn1cc2cc(C(C)C)ccc2n1.COC(=O)c1ccc(Cn2cc3ccc(C(C)C)cc3n2)c(OC)c1
InChIInChI=1S/C20H22N2O3.C15H20N2O2.C14H19N3O.C11H14N2/c1-13(2)14-5-7-16-11-22(21-18(16)9-14)12-17-8-6-15(20(23)25-4)10-19(17)24-3;1-4-19-15(18)7-8-17-10-13-9-12(11(2)3)5-6-14(13)16-17;1-10(2)11-4-5-13-12(8-11)9-17(16-13)7-6-14(18)15-3;1-8(2)9-4-5-10-7-13(3)12-11(10)6-9/h5-11,13H,12H2,1-4H3;5-6,9-11H,4,7-8H2,1-3H3;4-5,8-10H,6-7H2,1-3H3,(H,15,18);4-8H,1-3H3
InChIKeyFWWAAUFSXQWELK-UHFFFAOYSA-N
MW1018.32 g/mol
LogP12.11
Rot. Bonds15

About ethyl 3-(5-propan-2-ylindazol-2-yl)propanoate;methyl 3-methoxy-4-[(6-propan-2-ylindazol-2-yl)methyl]benzoate;2-methyl-6-propan-2-ylindazole;N-methyl-3-(5-propan-2-ylindazol-2-yl)propanamide

ethyl 3-(5-propan-2-ylindazol-2-yl)propanoate;methyl 3-methoxy-4-[(6-propan-2-ylindazol-2-yl)methyl]benzoate;2-methyl-6-propan-2-ylindazole;N-methyl-3-(5-propan-2-ylindazol-2-yl)propanamide (PubChem CID 158166108) has the molecular formula C60H75N9O6 and a molecular weight of 1018.32 g/mol. Its IUPAC name is ethyl 3-(5-propan-2-ylindazol-2-yl)propanoate;methyl 3-methoxy-4-[(6-propan-2-ylindazol-2-yl)methyl]benzoate;2-methyl-6-propan-2-ylindazole;N-methyl-3-(5-propan-2-ylindazol-2-yl)propanamide.

Molecular Properties

Compound Nameethyl 3-(5-propan-2-ylindazol-2-yl)propanoate;methyl 3-methoxy-4-[(6-propan-2-ylindazol-2-yl)methyl]benzoate;2-methyl-6-propan-2-ylindazole;N-methyl-3-(5-propan-2-ylindazol-2-yl)propanamide
PubChem CID158166108
Molecular FormulaC60H75N9O6
Molecular Weight1018.32 g/mol
Exact Mass1017.58
IUPAC Nameethyl 3-(5-propan-2-ylindazol-2-yl)propanoate;methyl 3-methoxy-4-[(6-propan-2-ylindazol-2-yl)methyl]benzoate;2-methyl-6-propan-2-ylindazole;N-methyl-3-(5-propan-2-ylindazol-2-yl)propanamide
SMILESCC(C)c1ccc2cn(C)nc2c1.CCOC(=O)CCn1cc2cc(C(C)C)ccc2n1.CNC(=O)CCn1cc2cc(C(C)C)ccc2n1.COC(=O)c1ccc(Cn2cc3ccc(C(C)C)cc3n2)c(OC)c1
InChIInChI=1S/C20H22N2O3.C15H20N2O2.C14H19N3O.C11H14N2/c1-13(2)14-5-7-16-11-22(21-18(16)9-14)12-17-8-6-15(20(23)25-4)10-19(17)24-3;1-4-19-15(18)7-8-17-10-13-9-12(11(2)3)5-6-14(13)16-17;1-10(2)11-4-5-13-12(8-11)9-17(16-13)7-6-14(18)15-3;1-8(2)9-4-5-10-7-13(3)12-11(10)6-9/h5-11,13H,12H2,1-4H3;5-6,9-11H,4,7-8H2,1-3H3;4-5,8-10H,6-7H2,1-3H3,(H,15,18);4-8H,1-3H3
InChIKeyFWWAAUFSXQWELK-UHFFFAOYSA-N
XLogP12.11
TPSA162.21 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001018.32
LogP ≤ 512.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze ethyl 3-(5-propan-2-ylindazol-2-yl)propanoate;methyl 3-methoxy-4-[(6-propan-2-ylindazol-2-yl)methyl]benzoate;2-methyl-6-propan-2-ylindazole;N-methyl-3-(5-propan-2-ylindazol-2-yl)propanamide with MolForge

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Related Compounds

3-Methoxy-4-[[6-(2-phenylbutanoylamino)indazol-1-yl]methyl]benzoic acid
CID 14708749
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-[3-(methylamino)propoxy]phenyl]indazole-4-carboxamide
CID 77464573
1-cyclopentyl-6-[3-[3-(dimethylamino)propoxy]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide
CID 77465666
3-Methoxy-4-[[6-(2-phenylbutanoylamino)indazol-2-yl]methyl]benzoic acid
CID 14708753
2-[2-[[1-[[2-[Amino-[3-[6-[[2-(carboxymethyl)phenoxy]methyl]-2-methylindazol-4-yl]-2-fluorophenyl]methyl]cyclopropyl]methyl]-4-[3-(aminomethyl)-2-fluorophenyl]indazol-6-yl]methoxy]phenyl]acetic acid
CID 139576305
2-[2-[[4-[3-[Amino-[2-[[4-[3-(aminomethyl)phenyl]-6-[[2-(carboxymethyl)phenoxy]methyl]indazol-1-yl]methyl]cyclopropyl]methyl]-2-fluorophenyl]-1-methylindazol-6-yl]methoxy]phenyl]acetic acid
CID 139576306
Ethyl 3-[[1-[1-[4-[2-methoxy-4-(trifluoromethyl)phenyl]phenyl]butyl]indazole-5-carbonyl]amino]propanoate
CID 141508257
[3-[6-[[2-[2-[4-[4-[3-(Aminomethyl)-2-fluorophenyl]-6-[[2-(carboxymethyl)phenoxy]methyl]indazol-2-yl]butan-2-yloxy]-2-oxoethyl]phenoxy]methyl]-2-methylindazol-4-yl]-2-fluorophenyl]methylazanium
CID 164042565
2-[2-[[4-[3-(Aminomethyl)-2-fluorophenyl]-2-[3-[2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-2-methylindazol-6-yl]methoxy]phenyl]acetyl]oxybutyl]indazol-6-yl]methoxy]phenyl]acetic acid
CID 164042566
3-ethoxy-4-[4-fluoro-3-(prop-2-enoylamino)phenyl]-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(1R)-1-(1H-indazol-7-yl)ethyl]-N-methyl-4-phenylbenzamide;2-fluoro-4-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-(1H-indazol-7-ylmethyl)-5-methoxy-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-methoxy-N-methyl-4-[3-(methylcarbamoyl)-5-(trifluoromethyl)phenyl]benzamide
CID 167547707
3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-4-(trifluoromethyl)benzoic acid;ethyl 3-ethoxy-4-(trifluoromethyl)benzoate;3-hydroxy-4-(trifluoromethyl)benzoic acid;1-(1H-indazol-5-yl)-N-methylmethanamine;1-(1H-indazol-6-yl)-N-methylmethanamine
CID 167625644
3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide
CID 167639007

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-propan-2-ylindazol-2-yl)propanoate;methyl 3-methoxy-4-[(6-propan-2-ylindazol-2-yl)methyl]benzoate;2-methyl-6-propan-2-ylindazole;N-methyl-3-(5-propan-2-ylindazol-2-yl)propanamide?
The IUPAC name of ethyl 3-(5-propan-2-ylindazol-2-yl)propanoate;methyl 3-methoxy-4-[(6-propan-2-ylindazol-2-yl)methyl]benzoate;2-methyl-6-propan-2-ylindazole;N-methyl-3-(5-propan-2-ylindazol-2-yl)propanamide (CID 158166108) is ethyl 3-(5-propan-2-ylindazol-2-yl)propanoate;methyl 3-methoxy-4-[(6-propan-2-ylindazol-2-yl)methyl]benzoate;2-methyl-6-propan-2-ylindazole;N-methyl-3-(5-propan-2-ylindazol-2-yl)propanamide.
What is the SMILES notation for ethyl 3-(5-propan-2-ylindazol-2-yl)propanoate;methyl 3-methoxy-4-[(6-propan-2-ylindazol-2-yl)methyl]benzoate;2-methyl-6-propan-2-ylindazole;N-methyl-3-(5-propan-2-ylindazol-2-yl)propanamide?
The canonical SMILES for ethyl 3-(5-propan-2-ylindazol-2-yl)propanoate;methyl 3-methoxy-4-[(6-propan-2-ylindazol-2-yl)methyl]benzoate;2-methyl-6-propan-2-ylindazole;N-methyl-3-(5-propan-2-ylindazol-2-yl)propanamide is CC(C)c1ccc2cn(C)nc2c1.CCOC(=O)CCn1cc2cc(C(C)C)ccc2n1.CNC(=O)CCn1cc2cc(C(C)C)ccc2n1.COC(=O)c1ccc(Cn2cc3ccc(C(C)C)cc3n2)c(OC)c1.
What is the InChIKey of ethyl 3-(5-propan-2-ylindazol-2-yl)propanoate;methyl 3-methoxy-4-[(6-propan-2-ylindazol-2-yl)methyl]benzoate;2-methyl-6-propan-2-ylindazole;N-methyl-3-(5-propan-2-ylindazol-2-yl)propanamide?
The InChIKey is FWWAAUFSXQWELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3.C15H20N2O2.C14H19N3O.C11H14N2/c1-13(2)14-5-7-16-11-22(21-18(16)9-14)12-17-8-6-15(20(23)25-4)10-19(17)24-3;1-4-19-15(18)7-8-17-10-13-9-12(11(2)3)5-6-14(13)16-17;1-10(2)11-4-5-13-12(8-11)9-17(16-13)7-6-14(18)15-3;1-8(2)9-4-5-10-7-13(3)12-11(10)6-9/h5-11,13H,12H2,1-4H3;5-6,9-11H,4,7-8H2,1-3H3;4-5,8-10H,6-7H2,1-3H3,(H,15,18);4-8H,1-3H3.
What are the key properties of ethyl 3-(5-propan-2-ylindazol-2-yl)propanoate;methyl 3-methoxy-4-[(6-propan-2-ylindazol-2-yl)methyl]benzoate;2-methyl-6-propan-2-ylindazole;N-methyl-3-(5-propan-2-ylindazol-2-yl)propanamide?
ethyl 3-(5-propan-2-ylindazol-2-yl)propanoate;methyl 3-methoxy-4-[(6-propan-2-ylindazol-2-yl)methyl]benzoate;2-methyl-6-propan-2-ylindazole;N-methyl-3-(5-propan-2-ylindazol-2-yl)propanamide has a molecular weight of 1018.32 g/mol, XLogP of 12.11, 15 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-propan-2-ylindazol-2-yl)propanoate;methyl 3-methoxy-4-[(6-propan-2-ylindazol-2-yl)methyl]benzoate;2-methyl-6-propan-2-ylindazole;N-methyl-3-(5-propan-2-ylindazol-2-yl)propanamide is sourced from PubChem (CID 158166108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).