3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-2-one

C17H14F3N5OS — CID 134493948

IUPAC3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-2-one
SMILESCn1cc(Cn2c(=O)n(C)c3ncc(-c4ccc(C(F)(F)F)s4)cc32)cn1
InChIInChI=1S/C17H14F3N5OS/c1-23-8-10(6-22-23)9-25-12-5-11(7-21-15(12)24(2)16(25)26)13-3-4-14(27-13)17(18,19)20/h3-8H,9H2,1-2H3
InChIKeyKQLSPCUQDXSFNC-UHFFFAOYSA-N
MW393.39 g/mol
LogP3.26
Rot. Bonds3

About 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-2-one

3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-2-one (PubChem CID 134493948) has the molecular formula C17H14F3N5OS and a molecular weight of 393.39 g/mol. Its IUPAC name is 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-2-one
PubChem CID134493948
Molecular FormulaC17H14F3N5OS
Molecular Weight393.39 g/mol
Exact Mass393.09
IUPAC Name3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-2-one
SMILESCn1cc(Cn2c(=O)n(C)c3ncc(-c4ccc(C(F)(F)F)s4)cc32)cn1
InChIInChI=1S/C17H14F3N5OS/c1-23-8-10(6-22-23)9-25-12-5-11(7-21-15(12)24(2)16(25)26)13-3-4-14(27-13)17(18,19)20/h3-8H,9H2,1-2H3
InChIKeyKQLSPCUQDXSFNC-UHFFFAOYSA-N
XLogP3.26
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetamide
CID 134493680
ethyl 2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetate
CID 140869572
6-[5-(difluoromethyl)thiophen-2-yl]-3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-one
CID 134490165
N,N-dimethyl-2-[3-methyl-6-(5-methylthiophen-2-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
CID 134489939
3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one
CID 134489973
2-methyl-2-[6-[5-(trifluoromethyl)thiophen-2-yl]pyrrolo[3,2-b]pyridin-1-yl]propanamide
CID 146290599
6-(2-fluoro-3-methylphenyl)-3-methyl-1-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one
CID 134490060
1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-3-methyl-6-[5-(trifluoromethyl)thiophen-3-yl]imidazo[4,5-b]pyridin-2-one
CID 134493841
1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-dione
CID 63812539
1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]imidazo[4,5-b]pyridin-2-one
CID 134493766
6-(2,4-difluoro-3-methylphenyl)-3-methyl-1-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridin-2-one
CID 134489968
1-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine
CID 115502072

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-2-one (CID 134493948) is 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-2-one is Cn1cc(Cn2c(=O)n(C)c3ncc(-c4ccc(C(F)(F)F)s4)cc32)cn1.
What is the InChIKey of 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-2-one?
The InChIKey is KQLSPCUQDXSFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5OS/c1-23-8-10(6-22-23)9-25-12-5-11(7-21-15(12)24(2)16(25)26)13-3-4-14(27-13)17(18,19)20/h3-8H,9H2,1-2H3.
What are the key properties of 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-2-one?
3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-2-one has a molecular weight of 393.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134493948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).