4-methyl-N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]pyridazine-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]pyridazine-3-carboxamide

C82H68F6N18O4S2 — CID 160640351

IUPAC4-methyl-N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]pyridazine-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]pyridazine-3-carboxamide
SMILESCc1ccc(Cn2cc(NC(=O)c3cccnn3)c3ccccc32)cn1.Cc1ccc(Cn2cc(NC(=O)c3scnc3C)c3ccccc32)cn1.Cc1ccc2c(c1)c(NC(=O)c1cccnn1)cn2Cc1ccc(C(F)(F)F)nc1.Cc1ccc2c(c1)c(NC(=O)c1scnc1C)cn2Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C21H16F3N5O.C21H17F3N4OS.C20H17N5O.C20H18N4OS/c1-13-4-6-18-15(9-13)17(27-20(30)16-3-2-8-26-28-16)12-29(18)11-14-5-7-19(25-10-14)21(22,23)24;1-12-3-5-17-15(7-12)16(27-20(29)19-13(2)26-11-30-19)10-28(17)9-14-4-6-18(25-8-14)21(22,23)24;1-14-8-9-15(11-21-14)12-25-13-18(16-5-2-3-7-19(16)25)23-20(26)17-6-4-10-22-24-17;1-13-7-8-15(9-21-13)10-24-11-17(16-5-3-4-6-18(16)24)23-20(25)19-14(2)22-12-26-19/h2-10,12H,11H2,1H3,(H,27,30);3-8,10-11H,9H2,1-2H3,(H,27,29);2-11,13H,12H2,1H3,(H,23,26);3-9,11-12H,10H2,1-2H3,(H,23,25)
InChIKeyRJCCBAGPAAWVHO-UHFFFAOYSA-N
MW1547.69 g/mol
LogP17.73
Rot. Bonds16

About 4-methyl-N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]pyridazine-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]pyridazine-3-carboxamide

4-methyl-N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]pyridazine-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]pyridazine-3-carboxamide (PubChem CID 160640351) has the molecular formula C82H68F6N18O4S2 and a molecular weight of 1547.69 g/mol. Its IUPAC name is 4-methyl-N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]pyridazine-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]pyridazine-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]pyridazine-3-carboxamide
PubChem CID160640351
Molecular FormulaC82H68F6N18O4S2
Molecular Weight1547.69 g/mol
Exact Mass1546.50
IUPAC Name4-methyl-N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]pyridazine-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]pyridazine-3-carboxamide
SMILESCc1ccc(Cn2cc(NC(=O)c3cccnn3)c3ccccc32)cn1.Cc1ccc(Cn2cc(NC(=O)c3scnc3C)c3ccccc32)cn1.Cc1ccc2c(c1)c(NC(=O)c1cccnn1)cn2Cc1ccc(C(F)(F)F)nc1.Cc1ccc2c(c1)c(NC(=O)c1scnc1C)cn2Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C21H16F3N5O.C21H17F3N4OS.C20H17N5O.C20H18N4OS/c1-13-4-6-18-15(9-13)17(27-20(30)16-3-2-8-26-28-16)12-29(18)11-14-5-7-19(25-10-14)21(22,23)24;1-12-3-5-17-15(7-12)16(27-20(29)19-13(2)26-11-30-19)10-28(17)9-14-4-6-18(25-8-14)21(22,23)24;1-14-8-9-15(11-21-14)12-25-13-18(16-5-2-3-7-19(16)25)23-20(26)17-6-4-10-22-24-17;1-13-7-8-15(9-21-13)10-24-11-17(16-5-3-4-6-18(16)24)23-20(25)19-14(2)22-12-26-19/h2-10,12H,11H2,1H3,(H,27,30);3-8,10-11H,9H2,1-2H3,(H,27,29);2-11,13H,12H2,1H3,(H,23,26);3-9,11-12H,10H2,1-2H3,(H,23,25)
InChIKeyRJCCBAGPAAWVHO-UHFFFAOYSA-N
XLogP17.73
TPSA265.02 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001547.69
LogP ≤ 517.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 4-methyl-N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]pyridazine-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]pyridazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]pyridazine-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]pyridazine-3-carboxamide?
The IUPAC name of 4-methyl-N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]pyridazine-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]pyridazine-3-carboxamide (CID 160640351) is 4-methyl-N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]pyridazine-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]pyridazine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]pyridazine-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]pyridazine-3-carboxamide?
The canonical SMILES for 4-methyl-N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]pyridazine-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]pyridazine-3-carboxamide is Cc1ccc(Cn2cc(NC(=O)c3cccnn3)c3ccccc32)cn1.Cc1ccc(Cn2cc(NC(=O)c3scnc3C)c3ccccc32)cn1.Cc1ccc2c(c1)c(NC(=O)c1cccnn1)cn2Cc1ccc(C(F)(F)F)nc1.Cc1ccc2c(c1)c(NC(=O)c1scnc1C)cn2Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 4-methyl-N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]pyridazine-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]pyridazine-3-carboxamide?
The InChIKey is RJCCBAGPAAWVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O.C21H17F3N4OS.C20H17N5O.C20H18N4OS/c1-13-4-6-18-15(9-13)17(27-20(30)16-3-2-8-26-28-16)12-29(18)11-14-5-7-19(25-10-14)21(22,23)24;1-12-3-5-17-15(7-12)16(27-20(29)19-13(2)26-11-30-19)10-28(17)9-14-4-6-18(25-8-14)21(22,23)24;1-14-8-9-15(11-21-14)12-25-13-18(16-5-2-3-7-19(16)25)23-20(26)17-6-4-10-22-24-17;1-13-7-8-15(9-21-13)10-24-11-17(16-5-3-4-6-18(16)24)23-20(25)19-14(2)22-12-26-19/h2-10,12H,11H2,1H3,(H,27,30);3-8,10-11H,9H2,1-2H3,(H,27,29);2-11,13H,12H2,1H3,(H,23,26);3-9,11-12H,10H2,1-2H3,(H,23,25).
What are the key properties of 4-methyl-N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]pyridazine-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]pyridazine-3-carboxamide?
4-methyl-N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]pyridazine-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]pyridazine-3-carboxamide has a molecular weight of 1547.69 g/mol, XLogP of 17.73, 16 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]pyridazine-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 160640351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).