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

C86H77N17O10S — CID 159843439

IUPACN-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC(Cc2ccccc2)C(N)=O)ccc2n[nH]c(/C=C/c3ccccn3)c12.COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccccn3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3ccccn3)c12.COc1c(C(=O)NCc2cccs2)ccc2n[nH]c(/C=C/c3ccccn3)c12
InChIInChI=1S/C25H23N5O3.C21H18N4O3.C21H18N4O2S.C19H18N4O2/c1-33-23-18(25(32)28-21(24(26)31)15-16-7-3-2-4-8-16)11-13-20-22(23)19(29-30-20)12-10-17-9-5-6-14-27-17;2*1-27-20-16(21(26)23-13-15-6-4-12-28-15)8-10-18-19(20)17(24-25-18)9-7-14-5-2-3-11-22-14;1-25-18-14(19(24)21-13-5-6-13)8-10-16-17(18)15(22-23-16)9-7-12-4-2-3-11-20-12/h2-14,21H,15H2,1H3,(H2,26,31)(H,28,32)(H,29,30);2*2-12H,13H2,1H3,(H,23,26)(H,24,25);2-4,7-11,13H,5-6H2,1H3,(H,21,24)(H,22,23)/b12-10+;3*9-7+
InChIKeyNOZDVIUOTCYHMA-QVAAXMOSSA-N
MW1540.74 g/mol
LogP13.78
Rot. Bonds25

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

N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide (PubChem CID 159843439) has the molecular formula C86H77N17O10S and a molecular weight of 1540.74 g/mol. Its IUPAC name is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-2-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-2-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
PubChem CID159843439
Molecular FormulaC86H77N17O10S
Molecular Weight1540.74 g/mol
Exact Mass1539.58
IUPAC NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC(Cc2ccccc2)C(N)=O)ccc2n[nH]c(/C=C/c3ccccn3)c12.COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccccn3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3ccccn3)c12.COc1c(C(=O)NCc2cccs2)ccc2n[nH]c(/C=C/c3ccccn3)c12
InChIInChI=1S/C25H23N5O3.C21H18N4O3.C21H18N4O2S.C19H18N4O2/c1-33-23-18(25(32)28-21(24(26)31)15-16-7-3-2-4-8-16)11-13-20-22(23)19(29-30-20)12-10-17-9-5-6-14-27-17;2*1-27-20-16(21(26)23-13-15-6-4-12-28-15)8-10-18-19(20)17(24-25-18)9-7-14-5-2-3-11-22-14;1-25-18-14(19(24)21-13-5-6-13)8-10-16-17(18)15(22-23-16)9-7-12-4-2-3-11-20-12/h2-14,21H,15H2,1H3,(H2,26,31)(H,28,32)(H,29,30);2*2-12H,13H2,1H3,(H,23,26)(H,24,25);2-4,7-11,13H,5-6H2,1H3,(H,21,24)(H,22,23)/b12-10+;3*9-7+
InChIKeyNOZDVIUOTCYHMA-QVAAXMOSSA-N
XLogP13.78
TPSA375.83 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds25
Heavy Atoms114
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001540.74
LogP ≤ 513.78
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

Analyze N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-2-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-2-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-2-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-2-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide (CID 159843439) is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-2-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-2-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-2-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-2-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide is COc1c(C(=O)NC(Cc2ccccc2)C(N)=O)ccc2n[nH]c(/C=C/c3ccccn3)c12.COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccccn3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3ccccn3)c12.COc1c(C(=O)NCc2cccs2)ccc2n[nH]c(/C=C/c3ccccn3)c12.
What is the InChIKey of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?
The InChIKey is NOZDVIUOTCYHMA-QVAAXMOSSA-N. The full InChI is InChI=1S/C25H23N5O3.C21H18N4O3.C21H18N4O2S.C19H18N4O2/c1-33-23-18(25(32)28-21(24(26)31)15-16-7-3-2-4-8-16)11-13-20-22(23)19(29-30-20)12-10-17-9-5-6-14-27-17;2*1-27-20-16(21(26)23-13-15-6-4-12-28-15)8-10-18-19(20)17(24-25-18)9-7-14-5-2-3-11-22-14;1-25-18-14(19(24)21-13-5-6-13)8-10-16-17(18)15(22-23-16)9-7-12-4-2-3-11-20-12/h2-14,21H,15H2,1H3,(H2,26,31)(H,28,32)(H,29,30);2*2-12H,13H2,1H3,(H,23,26)(H,24,25);2-4,7-11,13H,5-6H2,1H3,(H,21,24)(H,22,23)/b12-10+;3*9-7+.
What are the key properties of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide has a molecular weight of 1540.74 g/mol, XLogP of 13.78, 25 rotatable bonds, 9 hydrogen bond donors, and 19 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-2-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide is sourced from PubChem (CID 159843439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).