N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide

C90H92N18O16S — CID 158308783

IUPACN-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
SMILESCOc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NC(CO)C(C)C)c(OC)c23)cn1.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NC(CO)C(N)=O)c(OC)c23)cn1.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NC(Cc4ccccc4)C(N)=O)c(OC)c23)cn1.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCc4cccs4)c(OC)c23)cn1
InChIInChI=1S/C26H25N5O4.C22H26N4O4.C22H20N4O3S.C20H21N5O5/c1-34-22-13-9-17(15-28-22)8-11-19-23-20(31-30-19)12-10-18(24(23)35-2)26(33)29-21(25(27)32)14-16-6-4-3-5-7-16;1-13(2)18(12-27)24-22(28)15-7-9-17-20(21(15)30-4)16(25-26-17)8-5-14-6-10-19(29-3)23-11-14;1-28-19-10-6-14(12-23-19)5-8-17-20-18(26-25-17)9-7-16(21(20)29-2)22(27)24-13-15-4-3-11-30-15;1-29-16-8-4-11(9-22-16)3-6-13-17-14(25-24-13)7-5-12(18(17)30-2)20(28)23-15(10-26)19(21)27/h3-13,15,21H,14H2,1-2H3,(H2,27,32)(H,29,33)(H,30,31);5-11,13,18,27H,12H2,1-4H3,(H,24,28)(H,25,26);3-12H,13H2,1-2H3,(H,24,27)(H,25,26);3-9,15,26H,10H2,1-2H3,(H2,21,27)(H,23,28)(H,24,25)/b11-8+;2*8-5+;6-3+
InChIKeyGNKPBVZRWIMOKS-YACIMTDKSA-N
MW1713.90 g/mol
LogP10.72
Rot. Bonds32

About N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide

N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide (PubChem CID 158308783) has the molecular formula C90H92N18O16S and a molecular weight of 1713.90 g/mol. Its IUPAC name is N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
PubChem CID158308783
Molecular FormulaC90H92N18O16S
Molecular Weight1713.90 g/mol
Exact Mass1712.67
IUPAC NameN-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
SMILESCOc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NC(CO)C(C)C)c(OC)c23)cn1.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NC(CO)C(N)=O)c(OC)c23)cn1.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NC(Cc4ccccc4)C(N)=O)c(OC)c23)cn1.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCc4cccs4)c(OC)c23)cn1
InChIInChI=1S/C26H25N5O4.C22H26N4O4.C22H20N4O3S.C20H21N5O5/c1-34-22-13-9-17(15-28-22)8-11-19-23-20(31-30-19)12-10-18(24(23)35-2)26(33)29-21(25(27)32)14-16-6-4-3-5-7-16;1-13(2)18(12-27)24-22(28)15-7-9-17-20(21(15)30-4)16(25-26-17)8-5-14-6-10-19(29-3)23-11-14;1-28-19-10-6-14(12-23-19)5-8-17-20-18(26-25-17)9-7-16(21(20)29-2)22(27)24-13-15-4-3-11-30-15;1-29-16-8-4-11(9-22-16)3-6-13-17-14(25-24-13)7-5-12(18(17)30-2)20(28)23-15(10-26)19(21)27/h3-13,15,21H,14H2,1-2H3,(H2,27,32)(H,29,33)(H,30,31);5-11,13,18,27H,12H2,1-4H3,(H,24,28)(H,25,26);3-12H,13H2,1-2H3,(H,24,27)(H,25,26);3-9,15,26H,10H2,1-2H3,(H2,21,27)(H,23,28)(H,24,25)/b11-8+;2*8-5+;6-3+
InChIKeyGNKPBVZRWIMOKS-YACIMTDKSA-N
XLogP10.72
TPSA483.16 Ų
H-Bond Donors12
H-Bond Acceptors25
Rotatable Bonds32
Heavy Atoms125
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001713.90
LogP ≤ 510.72
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1025

Analyze N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-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-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?
The IUPAC name of N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide (CID 158308783) is N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?
The canonical SMILES for N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide is COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NC(CO)C(C)C)c(OC)c23)cn1.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NC(CO)C(N)=O)c(OC)c23)cn1.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NC(Cc4ccccc4)C(N)=O)c(OC)c23)cn1.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCc4cccs4)c(OC)c23)cn1.
What is the InChIKey of N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?
The InChIKey is GNKPBVZRWIMOKS-YACIMTDKSA-N. The full InChI is InChI=1S/C26H25N5O4.C22H26N4O4.C22H20N4O3S.C20H21N5O5/c1-34-22-13-9-17(15-28-22)8-11-19-23-20(31-30-19)12-10-18(24(23)35-2)26(33)29-21(25(27)32)14-16-6-4-3-5-7-16;1-13(2)18(12-27)24-22(28)15-7-9-17-20(21(15)30-4)16(25-26-17)8-5-14-6-10-19(29-3)23-11-14;1-28-19-10-6-14(12-23-19)5-8-17-20-18(26-25-17)9-7-16(21(20)29-2)22(27)24-13-15-4-3-11-30-15;1-29-16-8-4-11(9-22-16)3-6-13-17-14(25-24-13)7-5-12(18(17)30-2)20(28)23-15(10-26)19(21)27/h3-13,15,21H,14H2,1-2H3,(H2,27,32)(H,29,33)(H,30,31);5-11,13,18,27H,12H2,1-4H3,(H,24,28)(H,25,26);3-12H,13H2,1-2H3,(H,24,27)(H,25,26);3-9,15,26H,10H2,1-2H3,(H2,21,27)(H,23,28)(H,24,25)/b11-8+;2*8-5+;6-3+.
What are the key properties of N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?
N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide has a molecular weight of 1713.90 g/mol, XLogP of 10.72, 32 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide is sourced from PubChem (CID 158308783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).