(3R)-3-methyl-4-[10-pyrazolidin-3-yl-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-7-yl]morpholine

C17H22F3N7O3S — CID 171034538

IUPAC(3R)-3-methyl-4-[10-pyrazolidin-3-yl-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-7-yl]morpholine
SMILESC[C@@H]1COCCN1c1nc2c(cnn2C2CCNN2)c2c1CCN2S(=O)(=O)C(F)(F)F
InChIInChI=1S/C17H22F3N7O3S/c1-10-9-30-7-6-25(10)15-11-3-5-26(31(28,29)17(18,19)20)14(11)12-8-22-27(16(12)23-15)13-2-4-21-24-13/h8,10,13,21,24H,2-7,9H2,1H3/t10-,13?/m1/s1
InChIKeyICTZUJVEHMMTNX-VUUHIHSGSA-N
MW461.47 g/mol
LogP0.87
Rot. Bonds3

About (3R)-3-methyl-4-[10-pyrazolidin-3-yl-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-7-yl]morpholine

(3R)-3-methyl-4-[10-pyrazolidin-3-yl-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-7-yl]morpholine (PubChem CID 171034538) has the molecular formula C17H22F3N7O3S and a molecular weight of 461.47 g/mol. Its IUPAC name is (3R)-3-methyl-4-[10-pyrazolidin-3-yl-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-7-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[10-pyrazolidin-3-yl-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-7-yl]morpholine
PubChem CID171034538
Molecular FormulaC17H22F3N7O3S
Molecular Weight461.47 g/mol
Exact Mass461.15
IUPAC Name(3R)-3-methyl-4-[10-pyrazolidin-3-yl-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-7-yl]morpholine
SMILESC[C@@H]1COCCN1c1nc2c(cnn2C2CCNN2)c2c1CCN2S(=O)(=O)C(F)(F)F
InChIInChI=1S/C17H22F3N7O3S/c1-10-9-30-7-6-25(10)15-11-3-5-26(31(28,29)17(18,19)20)14(11)12-8-22-27(16(12)23-15)13-2-4-21-24-13/h8,10,13,21,24H,2-7,9H2,1H3/t10-,13?/m1/s1
InChIKeyICTZUJVEHMMTNX-VUUHIHSGSA-N
XLogP0.87
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.47
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (3R)-3-methyl-4-[10-pyrazolidin-3-yl-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-7-yl]morpholine 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 (3R)-3-methyl-4-[10-pyrazolidin-3-yl-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-7-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[10-pyrazolidin-3-yl-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-7-yl]morpholine (CID 171034538) is (3R)-3-methyl-4-[10-pyrazolidin-3-yl-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-7-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[10-pyrazolidin-3-yl-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-7-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[10-pyrazolidin-3-yl-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-7-yl]morpholine is C[C@@H]1COCCN1c1nc2c(cnn2C2CCNN2)c2c1CCN2S(=O)(=O)C(F)(F)F.
What is the InChIKey of (3R)-3-methyl-4-[10-pyrazolidin-3-yl-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-7-yl]morpholine?
The InChIKey is ICTZUJVEHMMTNX-VUUHIHSGSA-N. The full InChI is InChI=1S/C17H22F3N7O3S/c1-10-9-30-7-6-25(10)15-11-3-5-26(31(28,29)17(18,19)20)14(11)12-8-22-27(16(12)23-15)13-2-4-21-24-13/h8,10,13,21,24H,2-7,9H2,1H3/t10-,13?/m1/s1.
What are the key properties of (3R)-3-methyl-4-[10-pyrazolidin-3-yl-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-7-yl]morpholine?
(3R)-3-methyl-4-[10-pyrazolidin-3-yl-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-7-yl]morpholine has a molecular weight of 461.47 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[10-pyrazolidin-3-yl-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-7-yl]morpholine is sourced from PubChem (CID 171034538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).