6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone

C18H12F6N4OS — CID 24666598

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone
SMILESO=C(c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F)N1CCc2sccc2C1
InChIInChI=1S/C18H12F6N4OS/c19-17(20,21)11-1-2-14(25-7-11)28-15(18(22,23)24)12(8-26-28)16(29)27-5-3-13-10(9-27)4-6-30-13/h1-2,4,6-8H,3,5,9H2
InChIKeyIVYUEZVHBSEYSP-UHFFFAOYSA-N
MW446.38 g/mol
LogP4.56
Rot. Bonds2

About 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone (PubChem CID 24666598) has the molecular formula C18H12F6N4OS and a molecular weight of 446.38 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone
PubChem CID24666598
Molecular FormulaC18H12F6N4OS
Molecular Weight446.38 g/mol
Exact Mass446.06
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone
SMILESO=C(c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F)N1CCc2sccc2C1
InChIInChI=1S/C18H12F6N4OS/c19-17(20,21)11-1-2-14(25-7-11)28-15(18(22,23)24)12(8-26-28)16(29)27-5-3-13-10(9-27)4-6-30-13/h1-2,4,6-8H,3,5,9H2
InChIKeyIVYUEZVHBSEYSP-UHFFFAOYSA-N
XLogP4.56
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.38
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 55608072
[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56532607
[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56541695
N-pyridin-4-yl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 39953963
N-ethyl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 25331750
5-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 43049857
3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 51113786
[4-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperazin-1-yl]-naphthalen-1-ylmethanone
CID 46579254
N-methyl-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperidine-4-carboxamide
CID 43064110
(4-benzylpiperazin-1-yl)-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 21105184
(2,5-dichlorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 24778011
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid
CID 43452700

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone (CID 24666598) is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone is O=C(c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F)N1CCc2sccc2C1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone?
The InChIKey is IVYUEZVHBSEYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F6N4OS/c19-17(20,21)11-1-2-14(25-7-11)28-15(18(22,23)24)12(8-26-28)16(29)27-5-3-13-10(9-27)4-6-30-13/h1-2,4,6-8H,3,5,9H2.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone?
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone has a molecular weight of 446.38 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone is sourced from PubChem (CID 24666598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).