4-(1H-imidazol-5-yl)-6-methyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one

C17H14F3N5O3S — CID 16730385

IUPAC4-(1H-imidazol-5-yl)-6-methyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
SMILESCC1C(=O)c2[nH]ncc2C(c2cnc[nH]2)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14F3N5O3S/c1-9-16(26)14-12(6-23-24-14)15(13-7-21-8-22-13)25(9)29(27,28)11-4-2-10(3-5-11)17(18,19)20/h2-9,15H,1H3,(H,21,22)(H,23,24)
InChIKeyPVNUMKBZVPYVGW-UHFFFAOYSA-N
MW425.39 g/mol
LogP2.52
Rot. Bonds3

About 4-(1H-imidazol-5-yl)-6-methyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one

4-(1H-imidazol-5-yl)-6-methyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one (PubChem CID 16730385) has the molecular formula C17H14F3N5O3S and a molecular weight of 425.39 g/mol. Its IUPAC name is 4-(1H-imidazol-5-yl)-6-methyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one.

Molecular Properties

Compound Name4-(1H-imidazol-5-yl)-6-methyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
PubChem CID16730385
Molecular FormulaC17H14F3N5O3S
Molecular Weight425.39 g/mol
Exact Mass425.08
IUPAC Name4-(1H-imidazol-5-yl)-6-methyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
SMILESCC1C(=O)c2[nH]ncc2C(c2cnc[nH]2)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14F3N5O3S/c1-9-16(26)14-12(6-23-24-14)15(13-7-21-8-22-13)25(9)29(27,28)11-4-2-10(3-5-11)17(18,19)20/h2-9,15H,1H3,(H,21,22)(H,23,24)
InChIKeyPVNUMKBZVPYVGW-UHFFFAOYSA-N
XLogP2.52
TPSA111.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(1H-imidazol-5-yl)-6-methyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one 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

CID 127036544
CID 127036544
CID 91891302
CID 91891302
CID 16730239
CID 16730239
CID 16730386
CID 16730386
CID 58440535
CID 58440535
CID 58440600
CID 58440600
CID 72549854
CID 72549854
CID 87693424
CID 87693424
CID 87693432
CID 87693432
CID 89954612
CID 89954612
CID 121378728
CID 121378728
CID 121386341
CID 121386341

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-yl)-6-methyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one?
The IUPAC name of 4-(1H-imidazol-5-yl)-6-methyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one (CID 16730385) is 4-(1H-imidazol-5-yl)-6-methyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one.
What is the SMILES notation for 4-(1H-imidazol-5-yl)-6-methyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one?
The canonical SMILES for 4-(1H-imidazol-5-yl)-6-methyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one is CC1C(=O)c2[nH]ncc2C(c2cnc[nH]2)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-(1H-imidazol-5-yl)-6-methyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one?
The InChIKey is PVNUMKBZVPYVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O3S/c1-9-16(26)14-12(6-23-24-14)15(13-7-21-8-22-13)25(9)29(27,28)11-4-2-10(3-5-11)17(18,19)20/h2-9,15H,1H3,(H,21,22)(H,23,24).
What are the key properties of 4-(1H-imidazol-5-yl)-6-methyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one?
4-(1H-imidazol-5-yl)-6-methyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one has a molecular weight of 425.39 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-yl)-6-methyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one is sourced from PubChem (CID 16730385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).