2-[5-methyl-4-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

C24H18F3N7O2S — CID 137049679

IUPAC2-[5-methyl-4-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1c(C(=O)N2CCc3nc(-c4cccc(C(F)(F)F)c4)sc3C2)cnn1-c1nn2cccc2c(=O)[nH]1
InChIInChI=1S/C24H18F3N7O2S/c1-13-16(11-28-34(13)23-30-20(35)18-6-3-8-33(18)31-23)22(36)32-9-7-17-19(12-32)37-21(29-17)14-4-2-5-15(10-14)24(25,26)27/h2-6,8,10-11H,7,9,12H2,1H3,(H,30,31,35)
InChIKeyJFKALGVBYMIISI-UHFFFAOYSA-N
MW525.52 g/mol
LogP3.86
Rot. Bonds3

About 2-[5-methyl-4-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

2-[5-methyl-4-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 137049679) has the molecular formula C24H18F3N7O2S and a molecular weight of 525.52 g/mol. Its IUPAC name is 2-[5-methyl-4-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-[5-methyl-4-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID137049679
Molecular FormulaC24H18F3N7O2S
Molecular Weight525.52 g/mol
Exact Mass525.12
IUPAC Name2-[5-methyl-4-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1c(C(=O)N2CCc3nc(-c4cccc(C(F)(F)F)c4)sc3C2)cnn1-c1nn2cccc2c(=O)[nH]1
InChIInChI=1S/C24H18F3N7O2S/c1-13-16(11-28-34(13)23-30-20(35)18-6-3-8-33(18)31-23)22(36)32-9-7-17-19(12-32)37-21(29-17)14-4-2-5-15(10-14)24(25,26)27/h2-6,8,10-11H,7,9,12H2,1H3,(H,30,31,35)
InChIKeyJFKALGVBYMIISI-UHFFFAOYSA-N
XLogP3.86
TPSA101.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.52
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[5-methyl-4-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-[5-methyl-4-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 137049679) is 2-[5-methyl-4-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-[5-methyl-4-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-[5-methyl-4-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is Cc1c(C(=O)N2CCc3nc(-c4cccc(C(F)(F)F)c4)sc3C2)cnn1-c1nn2cccc2c(=O)[nH]1.
What is the InChIKey of 2-[5-methyl-4-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is JFKALGVBYMIISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N7O2S/c1-13-16(11-28-34(13)23-30-20(35)18-6-3-8-33(18)31-23)22(36)32-9-7-17-19(12-32)37-21(29-17)14-4-2-5-15(10-14)24(25,26)27/h2-6,8,10-11H,7,9,12H2,1H3,(H,30,31,35).
What are the key properties of 2-[5-methyl-4-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
2-[5-methyl-4-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 525.52 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-4-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 137049679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).