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

C57H43F18N9O2S6 — CID 159585726

IUPACN-[4-amino-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfanyl-N-methyl-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;3-ethylsulfanyl-N-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;2-[3-ethylsulfanyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc2cc(C(F)(F)F)ccc12.CCSc1c(C(=O)N(C)c2cnc(C(F)(F)F)cc2N)sc2cc(C(F)(F)F)ccc12.CCSc1c(C(=O)Nc2cc(C(F)(F)F)ncc2NC)sc2cc(C(F)(F)F)ccc12
InChIInChI=1S/2C19H15F6N3OS2.C19H13F6N3S2/c1-3-30-15-10-5-4-9(18(20,21)22)6-13(10)31-16(15)17(29)28(2)12-8-27-14(7-11(12)26)19(23,24)25;1-3-30-15-10-5-4-9(18(20,21)22)6-13(10)31-16(15)17(29)28-11-7-14(19(23,24)25)27-8-12(11)26-2;1-3-29-15-10-5-4-9(18(20,21)22)6-13(10)30-16(15)17-27-11-7-14(19(23,24)25)26-8-12(11)28(17)2/h4-8H,3H2,1-2H3,(H2,26,27);4-8,26H,3H2,1-2H3,(H,27,28,29);4-8H,3H2,1-2H3
InChIKeyMJOYYGAZYDMFSP-UHFFFAOYSA-N
MW1420.40 g/mol
LogP20.04
Rot. Bonds12

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

N-[4-amino-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfanyl-N-methyl-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;3-ethylsulfanyl-N-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;2-[3-ethylsulfanyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 159585726) has the molecular formula C57H43F18N9O2S6 and a molecular weight of 1420.40 g/mol. Its IUPAC name is N-[4-amino-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfanyl-N-methyl-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;3-ethylsulfanyl-N-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;2-[3-ethylsulfanyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound NameN-[4-amino-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfanyl-N-methyl-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;3-ethylsulfanyl-N-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;2-[3-ethylsulfanyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID159585726
Molecular FormulaC57H43F18N9O2S6
Molecular Weight1420.40 g/mol
Exact Mass1419.16
IUPAC NameN-[4-amino-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfanyl-N-methyl-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;3-ethylsulfanyl-N-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;2-[3-ethylsulfanyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc2cc(C(F)(F)F)ccc12.CCSc1c(C(=O)N(C)c2cnc(C(F)(F)F)cc2N)sc2cc(C(F)(F)F)ccc12.CCSc1c(C(=O)Nc2cc(C(F)(F)F)ncc2NC)sc2cc(C(F)(F)F)ccc12
InChIInChI=1S/2C19H15F6N3OS2.C19H13F6N3S2/c1-3-30-15-10-5-4-9(18(20,21)22)6-13(10)31-16(15)17(29)28(2)12-8-27-14(7-11(12)26)19(23,24)25;1-3-30-15-10-5-4-9(18(20,21)22)6-13(10)31-16(15)17(29)28-11-7-14(19(23,24)25)27-8-12(11)26-2;1-3-29-15-10-5-4-9(18(20,21)22)6-13(10)30-16(15)17-27-11-7-14(19(23,24)25)26-8-12(11)28(17)2/h4-8H,3H2,1-2H3,(H2,26,27);4-8,26H,3H2,1-2H3,(H,27,28,29);4-8H,3H2,1-2H3
InChIKeyMJOYYGAZYDMFSP-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-[4-amino-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfanyl-N-methyl-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;3-ethylsulfanyl-N-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;2-[3-ethylsulfanyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine with MolForge

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Related Compounds

4-[({3-[(2-Fluorophenyl)methyl]-3H-imidazo[4,5-C]pyridin-2-YL}sulfanyl)methyl]-N-[(thiophen-2-YL)methyl]benzamide
CID 16011494
US9718828, Example, 172
CID 71223105
4-[({3-[(3-Fluorophenyl)methyl]-3H-imidazo[4,5-C]pyridin-2-YL}sulfanyl)methyl]-N-[(thiophen-2-YL)methyl]benzamide
CID 16011994
[4-[8-Amino-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 59133216
US9718828, Example, 118
CID 71222582
[4-[8-Amino-1-(1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 59261385
(4-Methylpiperazin-1-yl)-[4-[9-thiophen-3-yl-6-[[3-(trifluoromethyl)phenyl]methylamino]purin-2-yl]phenyl]methanone
CID 117083777
N-[[4-[2-(2-amino-3-pyridinyl)-5-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide
CID 58344926
N-[3-[3-[2-[3-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]thiophene-2-carboxamide
CID 67160540
N-[3-[3-[2-[3-[2-(dimethylamino)ethyl]anilino]pyrimidin-4-yl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide
CID 67161190
N-[3-[3-[2-[3-[2-(dimethylamino)ethyl]anilino]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide
CID 67161243
N-[3-[3-[2-[4-(4-ethylpiperazin-1-yl)-3-fluoroanilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide
CID 67161623

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfanyl-N-methyl-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;3-ethylsulfanyl-N-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;2-[3-ethylsulfanyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of N-[4-amino-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfanyl-N-methyl-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;3-ethylsulfanyl-N-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;2-[3-ethylsulfanyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 159585726) is N-[4-amino-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfanyl-N-methyl-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;3-ethylsulfanyl-N-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;2-[3-ethylsulfanyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for N-[4-amino-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfanyl-N-methyl-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;3-ethylsulfanyl-N-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;2-[3-ethylsulfanyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for N-[4-amino-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfanyl-N-methyl-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;3-ethylsulfanyl-N-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;2-[3-ethylsulfanyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc2cc(C(F)(F)F)ccc12.CCSc1c(C(=O)N(C)c2cnc(C(F)(F)F)cc2N)sc2cc(C(F)(F)F)ccc12.CCSc1c(C(=O)Nc2cc(C(F)(F)F)ncc2NC)sc2cc(C(F)(F)F)ccc12.
What is the InChIKey of N-[4-amino-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfanyl-N-methyl-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;3-ethylsulfanyl-N-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;2-[3-ethylsulfanyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is MJOYYGAZYDMFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H15F6N3OS2.C19H13F6N3S2/c1-3-30-15-10-5-4-9(18(20,21)22)6-13(10)31-16(15)17(29)28(2)12-8-27-14(7-11(12)26)19(23,24)25;1-3-30-15-10-5-4-9(18(20,21)22)6-13(10)31-16(15)17(29)28-11-7-14(19(23,24)25)27-8-12(11)26-2;1-3-29-15-10-5-4-9(18(20,21)22)6-13(10)30-16(15)17-27-11-7-14(19(23,24)25)26-8-12(11)28(17)2/h4-8H,3H2,1-2H3,(H2,26,27);4-8,26H,3H2,1-2H3,(H,27,28,29);4-8H,3H2,1-2H3.
What are the key properties of N-[4-amino-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfanyl-N-methyl-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;3-ethylsulfanyl-N-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;2-[3-ethylsulfanyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
N-[4-amino-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfanyl-N-methyl-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;3-ethylsulfanyl-N-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;2-[3-ethylsulfanyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]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-[4-amino-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfanyl-N-methyl-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;3-ethylsulfanyl-N-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;2-[3-ethylsulfanyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 159585726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).