(2-pyridin-4-yl-1,3-thiazol-4-yl)-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone

C16H12F3N5OS — CID 167823456

IUPAC(2-pyridin-4-yl-1,3-thiazol-4-yl)-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESO=C(c1csc(-c2ccncc2)n1)N1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C16H12F3N5OS/c17-16(18,19)13-10-7-24(6-3-11(10)22-23-13)15(25)12-8-26-14(21-12)9-1-4-20-5-2-9/h1-2,4-5,8H,3,6-7H2,(H,22,23)
InChIKeyOBJQIRQVHCEZBS-UHFFFAOYSA-N
MW379.37 g/mol
LogP3.15
Rot. Bonds2

About (2-pyridin-4-yl-1,3-thiazol-4-yl)-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone

(2-pyridin-4-yl-1,3-thiazol-4-yl)-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 167823456) has the molecular formula C16H12F3N5OS and a molecular weight of 379.37 g/mol. Its IUPAC name is (2-pyridin-4-yl-1,3-thiazol-4-yl)-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2-pyridin-4-yl-1,3-thiazol-4-yl)-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID167823456
Molecular FormulaC16H12F3N5OS
Molecular Weight379.37 g/mol
Exact Mass379.07
IUPAC Name(2-pyridin-4-yl-1,3-thiazol-4-yl)-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESO=C(c1csc(-c2ccncc2)n1)N1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C16H12F3N5OS/c17-16(18,19)13-10-7-24(6-3-11(10)22-23-13)15(25)12-8-26-14(21-12)9-1-4-20-5-2-9/h1-2,4-5,8H,3,6-7H2,(H,22,23)
InChIKeyOBJQIRQVHCEZBS-UHFFFAOYSA-N
XLogP3.15
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-chlorofuran-2-yl)-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 154833056
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 18209057
[6-[(dimethylamino)methyl]-3-pyridinyl]-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 154842899
1-(3-methyl-1-benzothiophen-2-yl)-2-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethane-1,2-dione
CID 154836753
4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazin-2-one
CID 47123816
[2-(4-methylphenyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
CID 17474442
(2-phenyl-1,3-thiazol-4-yl)-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 18115382
(2-amino-1,3-thiazol-4-yl)-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone
CID 154564074
azepan-1-yl-[1-[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methanone
CID 17392352
(2-phenyl-1,3-thiazol-4-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 40856160
(2S)-2-(3,5-dimethylpyrazol-1-yl)-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 95621267
(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-pyrazin-2-ylmethanone
CID 95828470

Frequently Asked Questions

What is the IUPAC name of (2-pyridin-4-yl-1,3-thiazol-4-yl)-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of (2-pyridin-4-yl-1,3-thiazol-4-yl)-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (CID 167823456) is (2-pyridin-4-yl-1,3-thiazol-4-yl)-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for (2-pyridin-4-yl-1,3-thiazol-4-yl)-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for (2-pyridin-4-yl-1,3-thiazol-4-yl)-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is O=C(c1csc(-c2ccncc2)n1)N1CCc2[nH]nc(C(F)(F)F)c2C1.
What is the InChIKey of (2-pyridin-4-yl-1,3-thiazol-4-yl)-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is OBJQIRQVHCEZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5OS/c17-16(18,19)13-10-7-24(6-3-11(10)22-23-13)15(25)12-8-26-14(21-12)9-1-4-20-5-2-9/h1-2,4-5,8H,3,6-7H2,(H,22,23).
What are the key properties of (2-pyridin-4-yl-1,3-thiazol-4-yl)-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
(2-pyridin-4-yl-1,3-thiazol-4-yl)-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 379.37 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyridin-4-yl-1,3-thiazol-4-yl)-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 167823456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).