N-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methyl-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;2-[3-ethylsulfanyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine

C57H43F18N9O2S6 — CID 159369044

IUPACN-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methyl-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;2-[3-ethylsulfanyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCSc1c(-c2nc3cc(C(F)(F)F)cnc3n2C)sc2cc(C(F)(F)F)ccc12.CCSc1c(C(=O)N(C)c2ncc(C(F)(F)F)cc2N)sc2cc(C(F)(F)F)ccc12.CCSc1c(C(=O)Nc2cc(C(F)(F)F)cnc2NC)sc2cc(C(F)(F)F)ccc12
InChIInChI=1S/2C19H15F6N3OS2.C19H13F6N3S2/c1-3-30-14-11-5-4-9(18(20,21)22)7-13(11)31-15(14)17(29)28(2)16-12(26)6-10(8-27-16)19(23,24)25;1-3-30-14-11-5-4-9(18(20,21)22)7-13(11)31-15(14)17(29)28-12-6-10(19(23,24)25)8-27-16(12)26-2;1-3-29-14-11-5-4-9(18(20,21)22)7-13(11)30-15(14)17-27-12-6-10(19(23,24)25)8-26-16(12)28(17)2/h4-8H,3,26H2,1-2H3;4-8H,3H2,1-2H3,(H,26,27)(H,28,29);4-8H,3H2,1-2H3
InChIKeyLJMSCULHOUGCNS-UHFFFAOYSA-N
MW1420.40 g/mol
LogP20.04
Rot. Bonds12

About N-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methyl-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;2-[3-ethylsulfanyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine

N-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methyl-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;2-[3-ethylsulfanyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 159369044) has the molecular formula C57H43F18N9O2S6 and a molecular weight of 1420.40 g/mol. Its IUPAC name is N-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methyl-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;2-[3-ethylsulfanyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound NameN-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methyl-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;2-[3-ethylsulfanyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID159369044
Molecular FormulaC57H43F18N9O2S6
Molecular Weight1420.40 g/mol
Exact Mass1419.16
IUPAC NameN-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methyl-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;2-[3-ethylsulfanyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCSc1c(-c2nc3cc(C(F)(F)F)cnc3n2C)sc2cc(C(F)(F)F)ccc12.CCSc1c(C(=O)N(C)c2ncc(C(F)(F)F)cc2N)sc2cc(C(F)(F)F)ccc12.CCSc1c(C(=O)Nc2cc(C(F)(F)F)cnc2NC)sc2cc(C(F)(F)F)ccc12
InChIInChI=1S/2C19H15F6N3OS2.C19H13F6N3S2/c1-3-30-14-11-5-4-9(18(20,21)22)7-13(11)31-15(14)17(29)28(2)16-12(26)6-10(8-27-16)19(23,24)25;1-3-30-14-11-5-4-9(18(20,21)22)7-13(11)31-15(14)17(29)28-12-6-10(19(23,24)25)8-27-16(12)26-2;1-3-29-14-11-5-4-9(18(20,21)22)7-13(11)30-15(14)17-27-12-6-10(19(23,24)25)8-26-16(12)28(17)2/h4-8H,3,26H2,1-2H3;4-8H,3H2,1-2H3,(H,26,27)(H,28,29);4-8H,3H2,1-2H3
InChIKeyLJMSCULHOUGCNS-UHFFFAOYSA-N
XLogP20.04
TPSA143.95 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001420.40
LogP ≤ 520.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze N-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methyl-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;2-[3-ethylsulfanyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine with MolForge

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Related Compounds

4-[(2-{[(4-Methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-B]pyridin-3-YL)methyl]-N-[(thiophen-2-YL)methyl]benzamide
CID 16020884
4-[(2-{[(4-Methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-B]pyridin-3-YL)methyl]-N-[2-(thiophen-2-YL)ethyl]benzamide
CID 16020888
4-[({3-[(2-Fluorophenyl)methyl]-3H-imidazo[4,5-B]pyridin-2-YL}sulfanyl)methyl]-N-[(thiophen-2-YL)methyl]benzamide
CID 16021051
4-[(2-{[(3-Fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-B]pyridin-3-YL)methyl]-N-[2-(thiophen-2-YL)ethyl]benzamide
CID 16011320
4-[(2-{[(4-Fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-B]pyridin-3-YL)methyl]-N-[2-(thiophen-2-YL)ethyl]benzamide
CID 16011405
4-[(2-{[(4-Fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-B]pyridin-3-YL)methyl]-N-[(thiophen-2-YL)methyl]benzamide
CID 16020818
4-({2-[(3-fluorobenzyl)thio]-3H-imidazo[4,5-b]pyridin-3-yl}methyl)-N-(thien-2-ylmethyl)benzamide
CID 16020846
4-[(2-{[(2-Methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-B]pyridin-3-YL)methyl]-N-[2-(thiophen-2-YL)ethyl]benzamide
CID 16020914
4-[({3-Benzyl-3H-imidazo[4,5-B]pyridin-2-YL}sulfanyl)methyl]-N-[(thiophen-2-YL)methyl]benzamide
CID 16020987
4-[({3-[(4-Fluorophenyl)methyl]-3H-imidazo[4,5-B]pyridin-2-YL}sulfanyl)methyl]-N-[(thiophen-2-YL)methyl]benzamide
CID 16021017
4-[({3-[(3-Methylphenyl)methyl]-3H-imidazo[4,5-B]pyridin-2-YL}sulfanyl)methyl]-N-[(thiophen-2-YL)methyl]benzamide
CID 16021079
4-{[2-(Benzylsulfanyl)-3H-imidazo[4,5-B]pyridin-3-YL]methyl}-N-[(thiophen-2-YL)methyl]benzamide
CID 16021147

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methyl-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;2-[3-ethylsulfanyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of N-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methyl-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;2-[3-ethylsulfanyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 159369044) is N-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methyl-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;2-[3-ethylsulfanyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for N-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methyl-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;2-[3-ethylsulfanyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for N-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methyl-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;2-[3-ethylsulfanyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is CCSc1c(-c2nc3cc(C(F)(F)F)cnc3n2C)sc2cc(C(F)(F)F)ccc12.CCSc1c(C(=O)N(C)c2ncc(C(F)(F)F)cc2N)sc2cc(C(F)(F)F)ccc12.CCSc1c(C(=O)Nc2cc(C(F)(F)F)cnc2NC)sc2cc(C(F)(F)F)ccc12.
What is the InChIKey of N-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methyl-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;2-[3-ethylsulfanyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is LJMSCULHOUGCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H15F6N3OS2.C19H13F6N3S2/c1-3-30-14-11-5-4-9(18(20,21)22)7-13(11)31-15(14)17(29)28(2)16-12(26)6-10(8-27-16)19(23,24)25;1-3-30-14-11-5-4-9(18(20,21)22)7-13(11)31-15(14)17(29)28-12-6-10(19(23,24)25)8-27-16(12)26-2;1-3-29-14-11-5-4-9(18(20,21)22)7-13(11)30-15(14)17-27-12-6-10(19(23,24)25)8-26-16(12)28(17)2/h4-8H,3,26H2,1-2H3;4-8H,3H2,1-2H3,(H,26,27)(H,28,29);4-8H,3H2,1-2H3.
What are the key properties of N-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methyl-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;2-[3-ethylsulfanyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
N-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methyl-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;2-[3-ethylsulfanyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 1420.40 g/mol, XLogP of 20.04, 12 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methyl-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;2-[3-ethylsulfanyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 159369044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).