N-[(2S)-1-amino-1-oxopropan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide

C114H116N16O14 — CID 157446583

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccc(C)cc3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3ccc(C)cc3)c12.COc1c(C(=O)N[C@@H](C)C(N)=O)ccc2n[nH]c(/C=C/c3ccc(C)cc3)c12.COc1c(C(=O)N[C@H](CO)C(C)C)ccc2n[nH]c(/C=C/c3ccc(C)cc3)c12.COc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2n[nH]c(/C=C/c3ccc(C)cc3)c12
InChIInChI=1S/C26H25N3O3.C23H21N3O3.C23H27N3O3.C21H22N4O3.C21H21N3O2/c1-17-8-10-18(11-9-17)12-14-21-24-22(29-28-21)15-13-20(25(24)32-2)26(31)27-23(16-30)19-6-4-3-5-7-19;1-15-5-7-16(8-6-15)9-11-19-21-20(26-25-19)12-10-18(22(21)28-2)23(27)24-14-17-4-3-13-29-17;1-14(2)20(13-27)24-23(28)17-10-12-19-21(22(17)29-4)18(25-26-19)11-9-16-7-5-15(3)6-8-16;1-12-4-6-14(7-5-12)8-10-16-18-17(25-24-16)11-9-15(19(18)28-3)21(27)23-13(2)20(22)26;1-13-3-5-14(6-4-13)7-11-17-19-18(24-23-17)12-10-16(20(19)26-2)21(25)22-15-8-9-15/h3-15,23,30H,16H2,1-2H3,(H,27,31)(H,28,29);3-13H,14H2,1-2H3,(H,24,27)(H,25,26);5-12,14,20,27H,13H2,1-4H3,(H,24,28)(H,25,26);4-11,13H,1-3H3,(H2,22,26)(H,23,27)(H,24,25);3-7,10-12,15H,8-9H2,1-2H3,(H,22,25)(H,23,24)/b14-12+;2*11-9+;10-8+;11-7+/t23-;;20-;13-;/m1.10./s1
InChIKeyBSHIRLWSINLHQY-KYWVRRMOSA-N
MW1934.28 g/mol
LogP19.48
Rot. Bonds31

About N-[(2S)-1-amino-1-oxopropan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide (PubChem CID 157446583) has the molecular formula C114H116N16O14 and a molecular weight of 1934.28 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide
PubChem CID157446583
Molecular FormulaC114H116N16O14
Molecular Weight1934.28 g/mol
Exact Mass1932.89
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccc(C)cc3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3ccc(C)cc3)c12.COc1c(C(=O)N[C@@H](C)C(N)=O)ccc2n[nH]c(/C=C/c3ccc(C)cc3)c12.COc1c(C(=O)N[C@H](CO)C(C)C)ccc2n[nH]c(/C=C/c3ccc(C)cc3)c12.COc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2n[nH]c(/C=C/c3ccc(C)cc3)c12
InChIInChI=1S/C26H25N3O3.C23H21N3O3.C23H27N3O3.C21H22N4O3.C21H21N3O2/c1-17-8-10-18(11-9-17)12-14-21-24-22(29-28-21)15-13-20(25(24)32-2)26(31)27-23(16-30)19-6-4-3-5-7-19;1-15-5-7-16(8-6-15)9-11-19-21-20(26-25-19)12-10-18(22(21)28-2)23(27)24-14-17-4-3-13-29-17;1-14(2)20(13-27)24-23(28)17-10-12-19-21(22(17)29-4)18(25-26-19)11-9-16-7-5-15(3)6-8-16;1-12-4-6-14(7-5-12)8-10-16-18-17(25-24-16)11-9-15(19(18)28-3)21(27)23-13(2)20(22)26;1-13-3-5-14(6-4-13)7-11-17-19-18(24-23-17)12-10-16(20(19)26-2)21(25)22-15-8-9-15/h3-15,23,30H,16H2,1-2H3,(H,27,31)(H,28,29);3-13H,14H2,1-2H3,(H,24,27)(H,25,26);5-12,14,20,27H,13H2,1-4H3,(H,24,28)(H,25,26);4-11,13H,1-3H3,(H2,22,26)(H,23,27)(H,24,25);3-7,10-12,15H,8-9H2,1-2H3,(H,22,25)(H,23,24)/b14-12+;2*11-9+;10-8+;11-7+/t23-;;20-;13-;/m1.10./s1
InChIKeyBSHIRLWSINLHQY-KYWVRRMOSA-N
XLogP19.48
TPSA431.74 Ų
H-Bond Donors13
H-Bond Acceptors19
Rotatable Bonds31
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001934.28
LogP ≤ 519.48
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1019

Analyze N-[(2S)-1-amino-1-oxopropan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide with MolForge

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Related Compounds

4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
CID 60034651
3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 60053836
3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-1H-indazole-5-carboxamide
CID 72564596
4-(3-amino-3-oxopropoxy)-3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
CID 72628058
3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(3-hydroxypropoxy)-1H-indazole-5-carboxamide
CID 72628169
3-[2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 72635824
3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-hydroxy-1H-indazole-5-carboxamide
CID 135987981
3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide
CID 135987982
4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-2H-indazole-5-carboxamide
CID 136004348
3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(3-hydroxypropoxy)-2H-indazole-5-carboxamide
CID 136004412
3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide
CID 136046658
3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-hydroxy-1H-indazole-5-carboxamide
CID 136625720

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide (CID 157446583) is N-[(2S)-1-amino-1-oxopropan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide is COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccc(C)cc3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3ccc(C)cc3)c12.COc1c(C(=O)N[C@@H](C)C(N)=O)ccc2n[nH]c(/C=C/c3ccc(C)cc3)c12.COc1c(C(=O)N[C@H](CO)C(C)C)ccc2n[nH]c(/C=C/c3ccc(C)cc3)c12.COc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2n[nH]c(/C=C/c3ccc(C)cc3)c12.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide?
The InChIKey is BSHIRLWSINLHQY-KYWVRRMOSA-N. The full InChI is InChI=1S/C26H25N3O3.C23H21N3O3.C23H27N3O3.C21H22N4O3.C21H21N3O2/c1-17-8-10-18(11-9-17)12-14-21-24-22(29-28-21)15-13-20(25(24)32-2)26(31)27-23(16-30)19-6-4-3-5-7-19;1-15-5-7-16(8-6-15)9-11-19-21-20(26-25-19)12-10-18(22(21)28-2)23(27)24-14-17-4-3-13-29-17;1-14(2)20(13-27)24-23(28)17-10-12-19-21(22(17)29-4)18(25-26-19)11-9-16-7-5-15(3)6-8-16;1-12-4-6-14(7-5-12)8-10-16-18-17(25-24-16)11-9-15(19(18)28-3)21(27)23-13(2)20(22)26;1-13-3-5-14(6-4-13)7-11-17-19-18(24-23-17)12-10-16(20(19)26-2)21(25)22-15-8-9-15/h3-15,23,30H,16H2,1-2H3,(H,27,31)(H,28,29);3-13H,14H2,1-2H3,(H,24,27)(H,25,26);5-12,14,20,27H,13H2,1-4H3,(H,24,28)(H,25,26);4-11,13H,1-3H3,(H2,22,26)(H,23,27)(H,24,25);3-7,10-12,15H,8-9H2,1-2H3,(H,22,25)(H,23,24)/b14-12+;2*11-9+;10-8+;11-7+/t23-;;20-;13-;/m1.10./s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide has a molecular weight of 1934.28 g/mol, XLogP of 19.48, 31 rotatable bonds, 13 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 157446583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).