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

C21H28F3N5O — CID 78103618

IUPAC7-(2-pyrrolidin-1-yl-3-pyridinyl)-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=C1C2CNNC2C2CCC(c3cccnc3N3CCCC3)CC2N1CC(F)(F)F
InChIInChI=1S/C21H28F3N5O/c22-21(23,24)12-29-17-10-13(5-6-15(17)18-16(20(29)30)11-26-27-18)14-4-3-7-25-19(14)28-8-1-2-9-28/h3-4,7,13,15-18,26-27H,1-2,5-6,8-12H2
InChIKeyWMOXLVPPBWGQAM-UHFFFAOYSA-N
MW423.48 g/mol
LogP2.43
Rot. Bonds3

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

7-(2-pyrrolidin-1-yl-3-pyridinyl)-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 78103618) has the molecular formula C21H28F3N5O and a molecular weight of 423.48 g/mol. Its IUPAC name is 7-(2-pyrrolidin-1-yl-3-pyridinyl)-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 Name7-(2-pyrrolidin-1-yl-3-pyridinyl)-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 CID78103618
Molecular FormulaC21H28F3N5O
Molecular Weight423.48 g/mol
Exact Mass423.22
IUPAC Name7-(2-pyrrolidin-1-yl-3-pyridinyl)-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=C1C2CNNC2C2CCC(c3cccnc3N3CCCC3)CC2N1CC(F)(F)F
InChIInChI=1S/C21H28F3N5O/c22-21(23,24)12-29-17-10-13(5-6-15(17)18-16(20(29)30)11-26-27-18)14-4-3-7-25-19(14)28-8-1-2-9-28/h3-4,7,13,15-18,26-27H,1-2,5-6,8-12H2
InChIKeyWMOXLVPPBWGQAM-UHFFFAOYSA-N
XLogP2.43
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-(2-pyrrolidin-1-yl-3-pyridinyl)-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(2-pyrrolidin-1-yl-3-pyridinyl)-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 7-(2-pyrrolidin-1-yl-3-pyridinyl)-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 78103618) is 7-(2-pyrrolidin-1-yl-3-pyridinyl)-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 7-(2-pyrrolidin-1-yl-3-pyridinyl)-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 7-(2-pyrrolidin-1-yl-3-pyridinyl)-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=C1C2CNNC2C2CCC(c3cccnc3N3CCCC3)CC2N1CC(F)(F)F.
What is the InChIKey of 7-(2-pyrrolidin-1-yl-3-pyridinyl)-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 WMOXLVPPBWGQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F3N5O/c22-21(23,24)12-29-17-10-13(5-6-15(17)18-16(20(29)30)11-26-27-18)14-4-3-7-25-19(14)28-8-1-2-9-28/h3-4,7,13,15-18,26-27H,1-2,5-6,8-12H2.
What are the key properties of 7-(2-pyrrolidin-1-yl-3-pyridinyl)-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one?
7-(2-pyrrolidin-1-yl-3-pyridinyl)-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 423.48 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-pyrrolidin-1-yl-3-pyridinyl)-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 78103618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).