4-cyclopropyl-6-(oxan-4-yl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one

C20H21F3N4O4S — CID 46890759

IUPAC4-cyclopropyl-6-(oxan-4-yl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
SMILESO=C1c2[nH]ncc2C(C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C1C1CCOCC1
InChIInChI=1S/C20H21F3N4O4S/c21-20(22,23)15-4-3-13(9-24-15)32(29,30)27-17(11-1-2-11)14-10-25-26-16(14)19(28)18(27)12-5-7-31-8-6-12/h3-4,9-12,17-18H,1-2,5-8H2,(H,25,26)
InChIKeyIINYOCCKMVKUCN-UHFFFAOYSA-N
MW470.47 g/mol
LogP2.96
Rot. Bonds4

About 4-cyclopropyl-6-(oxan-4-yl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one

4-cyclopropyl-6-(oxan-4-yl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one (PubChem CID 46890759) has the molecular formula C20H21F3N4O4S and a molecular weight of 470.47 g/mol. Its IUPAC name is 4-cyclopropyl-6-(oxan-4-yl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one.

Molecular Properties

Compound Name4-cyclopropyl-6-(oxan-4-yl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
PubChem CID46890759
Molecular FormulaC20H21F3N4O4S
Molecular Weight470.47 g/mol
Exact Mass470.12
IUPAC Name4-cyclopropyl-6-(oxan-4-yl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
SMILESO=C1c2[nH]ncc2C(C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C1C1CCOCC1
InChIInChI=1S/C20H21F3N4O4S/c21-20(22,23)15-4-3-13(9-24-15)32(29,30)27-17(11-1-2-11)14-10-25-26-16(14)19(28)18(27)12-5-7-31-8-6-12/h3-4,9-12,17-18H,1-2,5-8H2,(H,25,26)
InChIKeyIINYOCCKMVKUCN-UHFFFAOYSA-N
XLogP2.96
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-Tert-butyl-4-cyclopropyl-5-(6-(trifluoromethyl)pyridin-3-ylsulfonyl)-5,6-dihydro-1H-pyrazolo[4,3-C]pyridin-7(4H)-one (structural mix)
CID 46890760
(4R,6S)-4-cyclopropyl-6-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
CID 46891576
4-cyclopropyl-6-(3,5-difluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
CID 46891577
(4R,6S)-4,6-diethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
CID 46891578
(4R,6S)-4,6-dicyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
CID 46891579
4'-Cyclo propyl-5'-(6-(trifluoro methyl)pyridin-3-YL sulfonyl)-4',5'-dihydrospiro[cyclopropane-1,6'-pyrazolo[4,3-C]pyridin]-7'(1'H)-one (enantiomeric mix)
CID 46236733
(4R,6R)-4,6-dicyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
CID 46890758
4'-Cyclopropyl-5'-(5-(trifluoro methyl)pyridin-2-YL sulfonyl)-4',5'-dihydrospiro[cyclopropane-1,6'-pyrazolo[4,3-C]pyridin]-7'(1'H)-one (enantiomeric mix)
CID 46891002
4-cyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
CID 46891520
(4R,6S)-4,6-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
CID 46891521
(4S,6R)-4,6-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
CID 46891575
6-methyl-4-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,3-c]pyridin-7-one
CID 16730306

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-(oxan-4-yl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one?
The IUPAC name of 4-cyclopropyl-6-(oxan-4-yl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one (CID 46890759) is 4-cyclopropyl-6-(oxan-4-yl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one.
What is the SMILES notation for 4-cyclopropyl-6-(oxan-4-yl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one?
The canonical SMILES for 4-cyclopropyl-6-(oxan-4-yl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one is O=C1c2[nH]ncc2C(C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C1C1CCOCC1.
What is the InChIKey of 4-cyclopropyl-6-(oxan-4-yl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one?
The InChIKey is IINYOCCKMVKUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O4S/c21-20(22,23)15-4-3-13(9-24-15)32(29,30)27-17(11-1-2-11)14-10-25-26-16(14)19(28)18(27)12-5-7-31-8-6-12/h3-4,9-12,17-18H,1-2,5-8H2,(H,25,26).
What are the key properties of 4-cyclopropyl-6-(oxan-4-yl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one?
4-cyclopropyl-6-(oxan-4-yl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one has a molecular weight of 470.47 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-(oxan-4-yl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one is sourced from PubChem (CID 46890759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).