6-methyl-4-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

C18H16F3N5O2S — CID 16731364

IUPAC6-methyl-4-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESCC1Cc2[nH]ncc2C(c2cncnc2)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H16F3N5O2S/c1-11-6-16-15(9-24-25-16)17(12-7-22-10-23-8-12)26(11)29(27,28)14-4-2-13(3-5-14)18(19,20)21/h2-5,7-11,17H,6H2,1H3,(H,24,25)
InChIKeyNBQFIIANGXHOLA-UHFFFAOYSA-N
MW423.42 g/mol
LogP2.94
Rot. Bonds3

About 6-methyl-4-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

6-methyl-4-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 16731364) has the molecular formula C18H16F3N5O2S and a molecular weight of 423.42 g/mol. Its IUPAC name is 6-methyl-4-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name6-methyl-4-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID16731364
Molecular FormulaC18H16F3N5O2S
Molecular Weight423.42 g/mol
Exact Mass423.10
IUPAC Name6-methyl-4-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESCC1Cc2[nH]ncc2C(c2cncnc2)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H16F3N5O2S/c1-11-6-16-15(9-24-25-16)17(12-7-22-10-23-8-12)26(11)29(27,28)14-4-2-13(3-5-14)18(19,20)21/h2-5,7-11,17H,6H2,1H3,(H,24,25)
InChIKeyNBQFIIANGXHOLA-UHFFFAOYSA-N
XLogP2.94
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 6-methyl-4-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 16731364) is 6-methyl-4-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 6-methyl-4-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 6-methyl-4-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is CC1Cc2[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-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is NBQFIIANGXHOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2S/c1-11-6-16-15(9-24-25-16)17(12-7-22-10-23-8-12)26(11)29(27,28)14-4-2-13(3-5-14)18(19,20)21/h2-5,7-11,17H,6H2,1H3,(H,24,25).
What are the key properties of 6-methyl-4-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
6-methyl-4-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 423.42 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 16731364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).