8-fluoro-7-pyridin-2-yl-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one

C17H20F4N4O — CID 121237900

IUPAC8-fluoro-7-pyridin-2-yl-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one
SMILESO=C1C2CNNC2C2CC(F)C(c3ccccn3)CC2N1CC(F)(F)F
InChIInChI=1S/C17H20F4N4O/c18-12-5-10-14(6-9(12)13-3-1-2-4-22-13)25(8-17(19,20)21)16(26)11-7-23-24-15(10)11/h1-4,9-12,14-15,23-24H,5-8H2
InChIKeyRZBDHUGEWIXELX-UHFFFAOYSA-N
MW372.37 g/mol
LogP1.78
Rot. Bonds2

About 8-fluoro-7-pyridin-2-yl-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one

8-fluoro-7-pyridin-2-yl-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 121237900) has the molecular formula C17H20F4N4O and a molecular weight of 372.37 g/mol. Its IUPAC name is 8-fluoro-7-pyridin-2-yl-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name8-fluoro-7-pyridin-2-yl-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID121237900
Molecular FormulaC17H20F4N4O
Molecular Weight372.37 g/mol
Exact Mass372.16
IUPAC Name8-fluoro-7-pyridin-2-yl-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one
SMILESO=C1C2CNNC2C2CC(F)C(c3ccccn3)CC2N1CC(F)(F)F
InChIInChI=1S/C17H20F4N4O/c18-12-5-10-14(6-9(12)13-3-1-2-4-22-13)25(8-17(19,20)21)16(26)11-7-23-24-15(10)11/h1-4,9-12,14-15,23-24H,5-8H2
InChIKeyRZBDHUGEWIXELX-UHFFFAOYSA-N
XLogP1.78
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-fluoro-7-pyridin-2-yl-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-7-pyridin-2-yl-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 8-fluoro-7-pyridin-2-yl-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one (CID 121237900) is 8-fluoro-7-pyridin-2-yl-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 8-fluoro-7-pyridin-2-yl-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 8-fluoro-7-pyridin-2-yl-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one is O=C1C2CNNC2C2CC(F)C(c3ccccn3)CC2N1CC(F)(F)F.
What is the InChIKey of 8-fluoro-7-pyridin-2-yl-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is RZBDHUGEWIXELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F4N4O/c18-12-5-10-14(6-9(12)13-3-1-2-4-22-13)25(8-17(19,20)21)16(26)11-7-23-24-15(10)11/h1-4,9-12,14-15,23-24H,5-8H2.
What are the key properties of 8-fluoro-7-pyridin-2-yl-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one?
8-fluoro-7-pyridin-2-yl-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 372.37 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-7-pyridin-2-yl-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 121237900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).