4-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;bis(2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide);N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide

C87H66F12N14O5S — CID 161309115

IUPAC4-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;bis(2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide);N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide
SMILESCOc1cscc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1ccccc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1ccccc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccnn1
InChIInChI=1S/2C23H18F3N3O.C21H16F3N3O2S.C20H14F3N5O/c2*1-15-6-2-3-7-18(15)22(30)27-21-19-8-4-5-9-20(19)29(28-21)14-16-10-12-17(13-11-16)23(24,25)26;1-29-18-12-30-11-16(18)20(28)25-19-15-4-2-3-5-17(15)27(26-19)10-13-6-8-14(9-7-13)21(22,23)24;21-20(22,23)14-9-7-13(8-10-14)12-28-17-6-2-1-4-15(17)18(27-28)25-19(29)16-5-3-11-24-26-16/h2*2-13H,14H2,1H3,(H,27,28,30);2-9,11-12H,10H2,1H3,(H,25,26,28);1-11H,12H2,(H,25,27,29)
InChIKeyVIQMUHYKFIXPCS-UHFFFAOYSA-N
MW1647.62 g/mol
LogP20.90
Rot. Bonds17

About 4-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;bis(2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide);N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide

4-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;bis(2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide);N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide (PubChem CID 161309115) has the molecular formula C87H66F12N14O5S and a molecular weight of 1647.62 g/mol. Its IUPAC name is 4-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;bis(2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide);N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;bis(2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide);N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide
PubChem CID161309115
Molecular FormulaC87H66F12N14O5S
Molecular Weight1647.62 g/mol
Exact Mass1646.49
IUPAC Name4-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;bis(2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide);N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide
SMILESCOc1cscc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1ccccc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1ccccc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccnn1
InChIInChI=1S/2C23H18F3N3O.C21H16F3N3O2S.C20H14F3N5O/c2*1-15-6-2-3-7-18(15)22(30)27-21-19-8-4-5-9-20(19)29(28-21)14-16-10-12-17(13-11-16)23(24,25)26;1-29-18-12-30-11-16(18)20(28)25-19-15-4-2-3-5-17(15)27(26-19)10-13-6-8-14(9-7-13)21(22,23)24;21-20(22,23)14-9-7-13(8-10-14)12-28-17-6-2-1-4-15(17)18(27-28)25-19(29)16-5-3-11-24-26-16/h2*2-13H,14H2,1H3,(H,27,28,30);2-9,11-12H,10H2,1H3,(H,25,26,28);1-11H,12H2,(H,25,27,29)
InChIKeyVIQMUHYKFIXPCS-UHFFFAOYSA-N
XLogP20.90
TPSA222.69 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001647.62
LogP ≤ 520.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 4-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;bis(2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide);N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide with MolForge

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Related Compounds

N-(1,3-diphenylpyrazol-5-yl)benzamide;N-(1,3-diphenylpyrazol-5-yl)-4-fluorobenzamide;N-(1,3-diphenylpyrazol-5-yl)-2-methoxybenzamide;N-(1,3-diphenylpyrazol-5-yl)pyridine-2-carboxamide;N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 158105872
4-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;bis(2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide);N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide
CID 158159060
4-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrazine-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-3-carboxamide
CID 159236641
N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide;2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;4-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
CID 161177423
N-[amino-[2-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]methylidene]-2-(trifluoromethyl)benzamide;2-(difluoromethoxy)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;4-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide
CID 164000430

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;bis(2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide);N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide?
The IUPAC name of 4-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;bis(2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide);N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide (CID 161309115) is 4-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;bis(2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide);N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide.
What is the SMILES notation for 4-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;bis(2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide);N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide?
The canonical SMILES for 4-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;bis(2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide);N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide is COc1cscc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1ccccc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1ccccc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccnn1.
What is the InChIKey of 4-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;bis(2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide);N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide?
The InChIKey is VIQMUHYKFIXPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H18F3N3O.C21H16F3N3O2S.C20H14F3N5O/c2*1-15-6-2-3-7-18(15)22(30)27-21-19-8-4-5-9-20(19)29(28-21)14-16-10-12-17(13-11-16)23(24,25)26;1-29-18-12-30-11-16(18)20(28)25-19-15-4-2-3-5-17(15)27(26-19)10-13-6-8-14(9-7-13)21(22,23)24;21-20(22,23)14-9-7-13(8-10-14)12-28-17-6-2-1-4-15(17)18(27-28)25-19(29)16-5-3-11-24-26-16/h2*2-13H,14H2,1H3,(H,27,28,30);2-9,11-12H,10H2,1H3,(H,25,26,28);1-11H,12H2,(H,25,27,29).
What are the key properties of 4-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;bis(2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide);N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide?
4-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;bis(2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide);N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide has a molecular weight of 1647.62 g/mol, XLogP of 20.90, 17 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;bis(2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide);N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 161309115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).