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

C18H17F3N4O3S — CID 46890758

IUPAC(4R,6R)-4,6-dicyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
SMILESO=C1c2[nH]ncc2[C@@H](C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@@H]1C1CC1
InChIInChI=1S/C18H17F3N4O3S/c19-18(20,21)13-6-5-11(7-22-13)29(27,28)25-15(9-1-2-9)12-8-23-24-14(12)17(26)16(25)10-3-4-10/h5-10,15-16H,1-4H2,(H,23,24)/t15-,16-/m1/s1
InChIKeyLWOGRYWBSQJZQD-HZPDHXFCSA-N
MW426.42 g/mol
LogP2.94
Rot. Bonds4

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

(4R,6R)-4,6-dicyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one (PubChem CID 46890758) has the molecular formula C18H17F3N4O3S and a molecular weight of 426.42 g/mol. Its IUPAC name is (4R,6R)-4,6-dicyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one.

Molecular Properties

Compound Name(4R,6R)-4,6-dicyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
PubChem CID46890758
Molecular FormulaC18H17F3N4O3S
Molecular Weight426.42 g/mol
Exact Mass426.10
IUPAC Name(4R,6R)-4,6-dicyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
SMILESO=C1c2[nH]ncc2[C@@H](C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@@H]1C1CC1
InChIInChI=1S/C18H17F3N4O3S/c19-18(20,21)13-6-5-11(7-22-13)29(27,28)25-15(9-1-2-9)12-8-23-24-14(12)17(26)16(25)10-3-4-10/h5-10,15-16H,1-4H2,(H,23,24)/t15-,16-/m1/s1
InChIKeyLWOGRYWBSQJZQD-HZPDHXFCSA-N
XLogP2.94
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
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)-4,6-dicyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890880
(4S,6R)-4,6-dicyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890881
(4S,6S)-4,6-dicyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890882
(4R,6R)-4,6-dicyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890883
4-Cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonylspiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopentane]-7-one
CID 46890945
4'-Cyclopropyl-7',7'-difluoro-5'-(6-(trifluoromethyl)pyridin-3-ylsulfonyl)-1',4',5',7'-tetrahydro spiro[cyclopropane-1,6'-pyrazolo[4,3-C]pyridine] (enantiomeric mix)
CID 46891052
4-cyclopropyl-6-methyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
CID 46891458
4,6-dicyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
CID 46891518
(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

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-4,6-dicyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one?
The IUPAC name of (4R,6R)-4,6-dicyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one (CID 46890758) is (4R,6R)-4,6-dicyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one.
What is the SMILES notation for (4R,6R)-4,6-dicyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one?
The canonical SMILES for (4R,6R)-4,6-dicyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one is O=C1c2[nH]ncc2[C@@H](C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@@H]1C1CC1.
What is the InChIKey of (4R,6R)-4,6-dicyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one?
The InChIKey is LWOGRYWBSQJZQD-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H17F3N4O3S/c19-18(20,21)13-6-5-11(7-22-13)29(27,28)25-15(9-1-2-9)12-8-23-24-14(12)17(26)16(25)10-3-4-10/h5-10,15-16H,1-4H2,(H,23,24)/t15-,16-/m1/s1.
What are the key properties of (4R,6R)-4,6-dicyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one?
(4R,6R)-4,6-dicyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one has a molecular weight of 426.42 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-4,6-dicyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one is sourced from PubChem (CID 46890758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).