N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide

C107H101N21O13S — CID 160610035

IUPACN-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC(CO)C(C)C)ccc2n[nH]c(/C=C/c3ccncc3)c12.COc1c(C(=O)NC(Cc2ccccc2)C(N)=O)ccc2n[nH]c(/C=C/c3ccncc3)c12.COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccncc3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3ccncc3)c12.COc1c(C(=O)NCc2cccs2)ccc2n[nH]c(/C=C/c3ccncc3)c12
InChIInChI=1S/C25H23N5O3.C21H18N4O3.C21H24N4O3.C21H18N4O2S.C19H18N4O2/c1-33-23-18(25(32)28-21(24(26)31)15-17-5-3-2-4-6-17)8-10-20-22(23)19(29-30-20)9-7-16-11-13-27-14-12-16;1-27-20-16(21(26)23-13-15-3-2-12-28-15)5-7-18-19(20)17(24-25-18)6-4-14-8-10-22-11-9-14;1-13(2)18(12-26)23-21(27)15-5-7-17-19(20(15)28-3)16(24-25-17)6-4-14-8-10-22-11-9-14;1-27-20-16(21(26)23-13-15-3-2-12-28-15)5-7-18-19(20)17(24-25-18)6-4-14-8-10-22-11-9-14;1-25-18-14(19(24)21-13-3-4-13)5-7-16-17(18)15(22-23-16)6-2-12-8-10-20-11-9-12/h2-14,21H,15H2,1H3,(H2,26,31)(H,28,32)(H,29,30);2-12H,13H2,1H3,(H,23,26)(H,24,25);4-11,13,18,26H,12H2,1-3H3,(H,23,27)(H,24,25);2-12H,13H2,1H3,(H,23,26)(H,24,25);2,5-11,13H,3-4H2,1H3,(H,21,24)(H,22,23)/b9-7+;3*6-4+;6-2+
InChIKeyRFJVGAFEYJIKCD-SHCLQIBYSA-N
MW1921.19 g/mol
LogP16.66
Rot. Bonds32

About N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide

N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide (PubChem CID 160610035) has the molecular formula C107H101N21O13S and a molecular weight of 1921.19 g/mol. Its IUPAC name is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
PubChem CID160610035
Molecular FormulaC107H101N21O13S
Molecular Weight1921.19 g/mol
Exact Mass1919.76
IUPAC NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC(CO)C(C)C)ccc2n[nH]c(/C=C/c3ccncc3)c12.COc1c(C(=O)NC(Cc2ccccc2)C(N)=O)ccc2n[nH]c(/C=C/c3ccncc3)c12.COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccncc3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3ccncc3)c12.COc1c(C(=O)NCc2cccs2)ccc2n[nH]c(/C=C/c3ccncc3)c12
InChIInChI=1S/C25H23N5O3.C21H18N4O3.C21H24N4O3.C21H18N4O2S.C19H18N4O2/c1-33-23-18(25(32)28-21(24(26)31)15-17-5-3-2-4-6-17)8-10-20-22(23)19(29-30-20)9-7-16-11-13-27-14-12-16;1-27-20-16(21(26)23-13-15-3-2-12-28-15)5-7-18-19(20)17(24-25-18)6-4-14-8-10-22-11-9-14;1-13(2)18(12-26)23-21(27)15-5-7-17-19(20(15)28-3)16(24-25-17)6-4-14-8-10-22-11-9-14;1-27-20-16(21(26)23-13-15-3-2-12-28-15)5-7-18-19(20)17(24-25-18)6-4-14-8-10-22-11-9-14;1-25-18-14(19(24)21-13-3-4-13)5-7-16-17(18)15(22-23-16)6-2-12-8-10-20-11-9-12/h2-14,21H,15H2,1H3,(H2,26,31)(H,28,32)(H,29,30);2-12H,13H2,1H3,(H,23,26)(H,24,25);4-11,13,18,26H,12H2,1-3H3,(H,23,27)(H,24,25);2-12H,13H2,1H3,(H,23,26)(H,24,25);2,5-11,13H,3-4H2,1H3,(H,21,24)(H,22,23)/b9-7+;3*6-4+;6-2+
InChIKeyRFJVGAFEYJIKCD-SHCLQIBYSA-N
XLogP16.66
TPSA475.96 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds32
Heavy Atoms142
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001921.19
LogP ≤ 516.66
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Analyze N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?
The IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide (CID 160610035) is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?
The canonical SMILES for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide is COc1c(C(=O)NC(CO)C(C)C)ccc2n[nH]c(/C=C/c3ccncc3)c12.COc1c(C(=O)NC(Cc2ccccc2)C(N)=O)ccc2n[nH]c(/C=C/c3ccncc3)c12.COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccncc3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3ccncc3)c12.COc1c(C(=O)NCc2cccs2)ccc2n[nH]c(/C=C/c3ccncc3)c12.
What is the InChIKey of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?
The InChIKey is RFJVGAFEYJIKCD-SHCLQIBYSA-N. The full InChI is InChI=1S/C25H23N5O3.C21H18N4O3.C21H24N4O3.C21H18N4O2S.C19H18N4O2/c1-33-23-18(25(32)28-21(24(26)31)15-17-5-3-2-4-6-17)8-10-20-22(23)19(29-30-20)9-7-16-11-13-27-14-12-16;1-27-20-16(21(26)23-13-15-3-2-12-28-15)5-7-18-19(20)17(24-25-18)6-4-14-8-10-22-11-9-14;1-13(2)18(12-26)23-21(27)15-5-7-17-19(20(15)28-3)16(24-25-17)6-4-14-8-10-22-11-9-14;1-27-20-16(21(26)23-13-15-3-2-12-28-15)5-7-18-19(20)17(24-25-18)6-4-14-8-10-22-11-9-14;1-25-18-14(19(24)21-13-3-4-13)5-7-16-17(18)15(22-23-16)6-2-12-8-10-20-11-9-12/h2-14,21H,15H2,1H3,(H2,26,31)(H,28,32)(H,29,30);2-12H,13H2,1H3,(H,23,26)(H,24,25);4-11,13,18,26H,12H2,1-3H3,(H,23,27)(H,24,25);2-12H,13H2,1H3,(H,23,26)(H,24,25);2,5-11,13H,3-4H2,1H3,(H,21,24)(H,22,23)/b9-7+;3*6-4+;6-2+.
What are the key properties of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide has a molecular weight of 1921.19 g/mol, XLogP of 16.66, 32 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide is sourced from PubChem (CID 160610035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).