3-(6-chloropyrazin-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine;2,6-dichloropyridine;5-methyl-1,3-thiazol-2-amine;3-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-methyl-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine

C46H33Cl3F9N15S2 — CID 158877494

IUPAC3-(6-chloropyrazin-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine;2,6-dichloropyridine;5-methyl-1,3-thiazol-2-amine;3-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-methyl-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
SMILESCc1c(C(F)(F)F)nc2ccccn12.Cc1cnc(N)s1.Cc1cnc(Nc2cncc(-c3c(C(F)(F)F)nc4ccccn34)n2)s1.Clc1cccc(Cl)n1.FC(F)(F)c1nc2ccccn2c1-c1cncc(Cl)n1
InChIInChI=1S/C16H11F3N6S.C12H6ClF3N4.C9H7F3N2.C5H3Cl2N.C4H6N2S/c1-9-6-21-15(26-9)23-11-8-20-7-10(22-11)13-14(16(17,18)19)24-12-4-2-3-5-25(12)13;13-8-6-17-5-7(18-8)10-11(12(14,15)16)19-9-3-1-2-4-20(9)10;1-6-8(9(10,11)12)13-7-4-2-3-5-14(6)7;6-4-2-1-3-5(7)8-4;1-3-2-6-4(5)7-3/h2-8H,1H3,(H,21,22,23);1-6H;2-5H,1H3;1-3H;2H,1H3,(H2,5,6)
InChIKeyJCPRSHNTHWYNIU-UHFFFAOYSA-N
MW1137.35 g/mol
LogP13.87
Rot. Bonds4

About 3-(6-chloropyrazin-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine;2,6-dichloropyridine;5-methyl-1,3-thiazol-2-amine;3-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-methyl-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine

3-(6-chloropyrazin-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine;2,6-dichloropyridine;5-methyl-1,3-thiazol-2-amine;3-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-methyl-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine (PubChem CID 158877494) has the molecular formula C46H33Cl3F9N15S2 and a molecular weight of 1137.35 g/mol. Its IUPAC name is 3-(6-chloropyrazin-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine;2,6-dichloropyridine;5-methyl-1,3-thiazol-2-amine;3-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-methyl-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name3-(6-chloropyrazin-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine;2,6-dichloropyridine;5-methyl-1,3-thiazol-2-amine;3-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-methyl-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
PubChem CID158877494
Molecular FormulaC46H33Cl3F9N15S2
Molecular Weight1137.35 g/mol
Exact Mass1135.14
IUPAC Name3-(6-chloropyrazin-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine;2,6-dichloropyridine;5-methyl-1,3-thiazol-2-amine;3-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-methyl-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
SMILESCc1c(C(F)(F)F)nc2ccccn12.Cc1cnc(N)s1.Cc1cnc(Nc2cncc(-c3c(C(F)(F)F)nc4ccccn34)n2)s1.Clc1cccc(Cl)n1.FC(F)(F)c1nc2ccccn2c1-c1cncc(Cl)n1
InChIInChI=1S/C16H11F3N6S.C12H6ClF3N4.C9H7F3N2.C5H3Cl2N.C4H6N2S/c1-9-6-21-15(26-9)23-11-8-20-7-10(22-11)13-14(16(17,18)19)24-12-4-2-3-5-25(12)13;13-8-6-17-5-7(18-8)10-11(12(14,15)16)19-9-3-1-2-4-20(9)10;1-6-8(9(10,11)12)13-7-4-2-3-5-14(6)7;6-4-2-1-3-5(7)8-4;1-3-2-6-4(5)7-3/h2-8H,1H3,(H,21,22,23);1-6H;2-5H,1H3;1-3H;2H,1H3,(H2,5,6)
InChIKeyJCPRSHNTHWYNIU-UHFFFAOYSA-N
XLogP13.87
TPSA180.18 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds4
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001137.35
LogP ≤ 513.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-(6-chloropyrazin-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine;2,6-dichloropyridine;5-methyl-1,3-thiazol-2-amine;3-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-methyl-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

3-Chloropyridine;bis(2-fluoropyridine);3-fluoropyridine;2-methoxypyrimidine;tris(2-methylpyrazine);2-methylpyridine;bis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;pyrazine;bis(pyridin-2-amine);tris(pyridine);pyrimidin-2-amine;pyrimidine;tris(1,3-thiazole);thiophene;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
CID 159189621
ethane;2-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-(1-oxidopyridin-1-ium-2-yl)-3-propan-2-ylimidazo[4,5-b]pyridine;2-(1,1,2,2,2-pentafluoroethyl)-3-propan-2-ylimidazo[4,5-b]pyridine;2-phenyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione;2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-1,3-thiazole;3-propan-2-yl-2-pyridin-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-2-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 160437943
Sodium;5-(bromomethyl)-2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-5-[(3,3-difluoropiperidin-1-yl)methyl]-1,3-thiazole;3,3-difluoropiperidine;5-[(3,3-difluoropiperidin-1-yl)methyl]-2-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;methane;pyridin-4-ylboronic acid;hydroxide
CID 163475725
potassium;5-chloro-2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridine;2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-5-imidazol-1-yl-[1,3]thiazolo[4,5-b]pyridine;1H-imidazole;2-methylpropan-2-olate
CID 159717497
6-chloro-2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[4,5-b]pyrazine;5-N-[2-(dimethylamino)ethyl]-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine;N'-[2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N,N,N'-trimethylethane-1,2-diamine;methane
CID 159791430
5-(5-chlorothiophen-2-yl)-2-[2-[2-[7-[(3-fluoro-2-pyridinyl)methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethylamino]ethyl]-N,N-dimethylimidazole-1-sulfonamide;2-[2-[2-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]ethylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;methane
CID 160235499
2-chloro-N-[(3-chloro-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-N-[(3-chloro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-8-methoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine
CID 160739449

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloropyrazin-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine;2,6-dichloropyridine;5-methyl-1,3-thiazol-2-amine;3-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-methyl-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of 3-(6-chloropyrazin-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine;2,6-dichloropyridine;5-methyl-1,3-thiazol-2-amine;3-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-methyl-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine (CID 158877494) is 3-(6-chloropyrazin-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine;2,6-dichloropyridine;5-methyl-1,3-thiazol-2-amine;3-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-methyl-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 3-(6-chloropyrazin-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine;2,6-dichloropyridine;5-methyl-1,3-thiazol-2-amine;3-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-methyl-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 3-(6-chloropyrazin-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine;2,6-dichloropyridine;5-methyl-1,3-thiazol-2-amine;3-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-methyl-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine is Cc1c(C(F)(F)F)nc2ccccn12.Cc1cnc(N)s1.Cc1cnc(Nc2cncc(-c3c(C(F)(F)F)nc4ccccn34)n2)s1.Clc1cccc(Cl)n1.FC(F)(F)c1nc2ccccn2c1-c1cncc(Cl)n1.
What is the InChIKey of 3-(6-chloropyrazin-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine;2,6-dichloropyridine;5-methyl-1,3-thiazol-2-amine;3-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-methyl-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine?
The InChIKey is JCPRSHNTHWYNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N6S.C12H6ClF3N4.C9H7F3N2.C5H3Cl2N.C4H6N2S/c1-9-6-21-15(26-9)23-11-8-20-7-10(22-11)13-14(16(17,18)19)24-12-4-2-3-5-25(12)13;13-8-6-17-5-7(18-8)10-11(12(14,15)16)19-9-3-1-2-4-20(9)10;1-6-8(9(10,11)12)13-7-4-2-3-5-14(6)7;6-4-2-1-3-5(7)8-4;1-3-2-6-4(5)7-3/h2-8H,1H3,(H,21,22,23);1-6H;2-5H,1H3;1-3H;2H,1H3,(H2,5,6).
What are the key properties of 3-(6-chloropyrazin-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine;2,6-dichloropyridine;5-methyl-1,3-thiazol-2-amine;3-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-methyl-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine?
3-(6-chloropyrazin-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine;2,6-dichloropyridine;5-methyl-1,3-thiazol-2-amine;3-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-methyl-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 1137.35 g/mol, XLogP of 13.87, 4 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloropyrazin-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine;2,6-dichloropyridine;5-methyl-1,3-thiazol-2-amine;3-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-methyl-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 158877494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).