2-[5-(4-chlorophenyl)-2-ethylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

C22H16ClF3N6S — CID 155738740

IUPAC2-[5-(4-chlorophenyl)-2-ethylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCSc1nn2ccc(-c3ccc(Cl)cc3)nc2c1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C22H16ClF3N6S/c1-3-33-21-18(19-29-15-10-17(22(24,25)26)27-11-16(15)31(19)2)20-28-14(8-9-32(20)30-21)12-4-6-13(23)7-5-12/h4-11H,3H2,1-2H3
InChIKeyFSWHKWIMGMEICS-UHFFFAOYSA-N
MW488.93 g/mol
LogP6.13
Rot. Bonds4

About 2-[5-(4-chlorophenyl)-2-ethylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

2-[5-(4-chlorophenyl)-2-ethylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 155738740) has the molecular formula C22H16ClF3N6S and a molecular weight of 488.93 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-2-ethylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-2-ethylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID155738740
Molecular FormulaC22H16ClF3N6S
Molecular Weight488.93 g/mol
Exact Mass488.08
IUPAC Name2-[5-(4-chlorophenyl)-2-ethylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCSc1nn2ccc(-c3ccc(Cl)cc3)nc2c1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C22H16ClF3N6S/c1-3-33-21-18(19-29-15-10-17(22(24,25)26)27-11-16(15)31(19)2)20-28-14(8-9-32(20)30-21)12-4-6-13(23)7-5-12/h4-11H,3H2,1-2H3
InChIKeyFSWHKWIMGMEICS-UHFFFAOYSA-N
XLogP6.13
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.93
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[7-(2,4-dichlorophenyl)-2-ethylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 155738763
2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
CID 155738742
2-[4-chloro-5-(4-chlorophenyl)-3-ethylsulfanylthiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 122641739
2-ethylsulfanyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-5-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
CID 155738729
2-[6-(4-chlorophenyl)-3-ethylsulfinyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 166991071
2-[6-(3,5-dichloro-4-fluorophenyl)-3-ethylsulfanyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 122430886
5-(4-chlorophenyl)-2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 155738817
2-ethylsulfanyl-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine
CID 155738715
cyanamide;2-ethylsulfanyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 177236070
2-(4-chlorophenyl)-5-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole
CID 122646952
2-[2-(4-chloropyrazol-1-yl)-5-ethylsulfanyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 135235222
2-(4-chloro-2-methylsulfinylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 146541024

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-2-ethylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-[5-(4-chlorophenyl)-2-ethylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 155738740) is 2-[5-(4-chlorophenyl)-2-ethylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-2-ethylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[5-(4-chlorophenyl)-2-ethylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCSc1nn2ccc(-c3ccc(Cl)cc3)nc2c1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 2-[5-(4-chlorophenyl)-2-ethylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is FSWHKWIMGMEICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF3N6S/c1-3-33-21-18(19-29-15-10-17(22(24,25)26)27-11-16(15)31(19)2)20-28-14(8-9-32(20)30-21)12-4-6-13(23)7-5-12/h4-11H,3H2,1-2H3.
What are the key properties of 2-[5-(4-chlorophenyl)-2-ethylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-[5-(4-chlorophenyl)-2-ethylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 488.93 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-2-ethylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 155738740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).