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

C18H14F3N5O3S — CID 16730239

IUPAC6-methyl-4-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
SMILESCC1C(=O)c2[nH]ncc2C(c2cncnc2)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H14F3N5O3S/c1-10-17(27)15-14(8-24-25-15)16(11-6-22-9-23-7-11)26(10)30(28,29)13-4-2-12(3-5-13)18(19,20)21/h2-10,16H,1H3,(H,24,25)
InChIKeyVXZAMCUMOIFIDF-UHFFFAOYSA-N
MW437.40 g/mol
LogP2.58
Rot. Bonds3

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

6-methyl-4-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one (PubChem CID 16730239) has the molecular formula C18H14F3N5O3S and a molecular weight of 437.40 g/mol. Its IUPAC name is 6-methyl-4-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one.

Molecular Properties

Compound Name6-methyl-4-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
PubChem CID16730239
Molecular FormulaC18H14F3N5O3S
Molecular Weight437.40 g/mol
Exact Mass437.08
IUPAC Name6-methyl-4-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
SMILESCC1C(=O)c2[nH]ncc2C(c2cncnc2)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H14F3N5O3S/c1-10-17(27)15-14(8-24-25-15)16(11-6-22-9-23-7-11)26(10)30(28,29)13-4-2-12(3-5-13)18(19,20)21/h2-10,16H,1H3,(H,24,25)
InChIKeyVXZAMCUMOIFIDF-UHFFFAOYSA-N
XLogP2.58
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one?
The IUPAC name of 6-methyl-4-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one (CID 16730239) is 6-methyl-4-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one.
What is the SMILES notation for 6-methyl-4-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one?
The canonical SMILES for 6-methyl-4-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one is CC1C(=O)c2[nH]ncc2C(c2cncnc2)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-methyl-4-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one?
The InChIKey is VXZAMCUMOIFIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O3S/c1-10-17(27)15-14(8-24-25-15)16(11-6-22-9-23-7-11)26(10)30(28,29)13-4-2-12(3-5-13)18(19,20)21/h2-10,16H,1H3,(H,24,25).
What are the key properties of 6-methyl-4-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one?
6-methyl-4-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one has a molecular weight of 437.40 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one is sourced from PubChem (CID 16730239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).