(2R)-4-[8-(2,6-difluorophenyl)-5,11-dimethyl-3,4,7,9-tetrazatricyclo[8.5.0.02,6]pentadeca-1(10),2,5,8,11,14-hexaen-14-yl]-2-(trifluoromethoxymethyl)morpholine

C25H24F5N5O2 — CID 171630277

IUPAC(2R)-4-[8-(2,6-difluorophenyl)-5,11-dimethyl-3,4,7,9-tetrazatricyclo[8.5.0.02,6]pentadeca-1(10),2,5,8,11,14-hexaen-14-yl]-2-(trifluoromethoxymethyl)morpholine
SMILESCC1=CCC(N2CCO[C@@H](COC(F)(F)F)C2)=CC2=C1N=C(c1c(F)cccc1F)Nc1c2n[nH]c1C
InChIInChI=1S/C25H24F5N5O2/c1-13-6-7-15(35-8-9-36-16(11-35)12-37-25(28,29)30)10-17-21(13)31-24(20-18(26)4-3-5-19(20)27)32-22-14(2)33-34-23(17)22/h3-6,10,16H,7-9,11-12H2,1-2H3,(H,31,32)(H,33,34)/t16-/m1/s1
InChIKeyROWPUDXOLIFHPS-MRXNPFEDSA-N
MW521.49 g/mol
LogP5.05
Rot. Bonds4

About (2R)-4-[8-(2,6-difluorophenyl)-5,11-dimethyl-3,4,7,9-tetrazatricyclo[8.5.0.02,6]pentadeca-1(10),2,5,8,11,14-hexaen-14-yl]-2-(trifluoromethoxymethyl)morpholine

(2R)-4-[8-(2,6-difluorophenyl)-5,11-dimethyl-3,4,7,9-tetrazatricyclo[8.5.0.02,6]pentadeca-1(10),2,5,8,11,14-hexaen-14-yl]-2-(trifluoromethoxymethyl)morpholine (PubChem CID 171630277) has the molecular formula C25H24F5N5O2 and a molecular weight of 521.49 g/mol. Its IUPAC name is (2R)-4-[8-(2,6-difluorophenyl)-5,11-dimethyl-3,4,7,9-tetrazatricyclo[8.5.0.02,6]pentadeca-1(10),2,5,8,11,14-hexaen-14-yl]-2-(trifluoromethoxymethyl)morpholine.

Molecular Properties

Compound Name(2R)-4-[8-(2,6-difluorophenyl)-5,11-dimethyl-3,4,7,9-tetrazatricyclo[8.5.0.02,6]pentadeca-1(10),2,5,8,11,14-hexaen-14-yl]-2-(trifluoromethoxymethyl)morpholine
PubChem CID171630277
Molecular FormulaC25H24F5N5O2
Molecular Weight521.49 g/mol
Exact Mass521.19
IUPAC Name(2R)-4-[8-(2,6-difluorophenyl)-5,11-dimethyl-3,4,7,9-tetrazatricyclo[8.5.0.02,6]pentadeca-1(10),2,5,8,11,14-hexaen-14-yl]-2-(trifluoromethoxymethyl)morpholine
SMILESCC1=CCC(N2CCO[C@@H](COC(F)(F)F)C2)=CC2=C1N=C(c1c(F)cccc1F)Nc1c2n[nH]c1C
InChIInChI=1S/C25H24F5N5O2/c1-13-6-7-15(35-8-9-36-16(11-35)12-37-25(28,29)30)10-17-21(13)31-24(20-18(26)4-3-5-19(20)27)32-22-14(2)33-34-23(17)22/h3-6,10,16H,7-9,11-12H2,1-2H3,(H,31,32)(H,33,34)/t16-/m1/s1
InChIKeyROWPUDXOLIFHPS-MRXNPFEDSA-N
XLogP5.05
TPSA74.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.49
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-4-[8-(2,6-difluorophenyl)-5,11-dimethyl-3,4,7,9-tetrazatricyclo[8.5.0.02,6]pentadeca-1(10),2,5,8,11,14-hexaen-14-yl]-2-(trifluoromethoxymethyl)morpholine with MolForge

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

Launch Full Analysis

Related Compounds

4-[5-(2,6-difluorophenyl)-3-methyl-2,6-dihydropyrazolo[4,3-d][1,3]benzodiazepin-9-yl]-2-methylmorpholine
CID 171630234
3-[8-(2,6-difluorophenyl)-5,11-dimethyl-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,8,10,12-hexaen-13-yl]-6-oxa-3-azabicyclo[3.1.1]heptane
CID 171630114
5-(2,6-difluorophenyl)-8-[(E)-2-(3-ethylpiperidin-1-yl)prop-1-enyl]-3-methyl-7-prop-1-en-2-yl-2,4-dihydropyrazolo[4,3-d][1,3]diazepine
CID 178062268
1-[3-fluoro-2-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol
CID 114059212
4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(ethoxymethyl)morpholine
CID 166246196
4-fluoro-N-[3-[2-(methoxymethyl)morpholin-4-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394933
(2R)-2-(fluoromethyl)-4-(6-methyl-2-pyridinyl)morpholine
CID 129348618
2-[(3-methyl-1H-inden-4-yl)oxymethyl]-4-propan-2-ylmorpholine
CID 12800264
2-[(1-methyl-3H-inden-4-yl)oxymethyl]-4-propan-2-ylmorpholine
CID 12800263
8-[8-(2,6-difluorophenyl)-5-methyl-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,7,10,12-hexaen-13-yl]-2-oxa-5,8-diazaspiro[3.5]nonane
CID 171630425
2-(methoxymethyl)-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine
CID 122156203
4-[3-fluoro-2-(2H-tetrazol-5-yl)phenyl]morpholine
CID 124518132

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[8-(2,6-difluorophenyl)-5,11-dimethyl-3,4,7,9-tetrazatricyclo[8.5.0.02,6]pentadeca-1(10),2,5,8,11,14-hexaen-14-yl]-2-(trifluoromethoxymethyl)morpholine?
The IUPAC name of (2R)-4-[8-(2,6-difluorophenyl)-5,11-dimethyl-3,4,7,9-tetrazatricyclo[8.5.0.02,6]pentadeca-1(10),2,5,8,11,14-hexaen-14-yl]-2-(trifluoromethoxymethyl)morpholine (CID 171630277) is (2R)-4-[8-(2,6-difluorophenyl)-5,11-dimethyl-3,4,7,9-tetrazatricyclo[8.5.0.02,6]pentadeca-1(10),2,5,8,11,14-hexaen-14-yl]-2-(trifluoromethoxymethyl)morpholine.
What is the SMILES notation for (2R)-4-[8-(2,6-difluorophenyl)-5,11-dimethyl-3,4,7,9-tetrazatricyclo[8.5.0.02,6]pentadeca-1(10),2,5,8,11,14-hexaen-14-yl]-2-(trifluoromethoxymethyl)morpholine?
The canonical SMILES for (2R)-4-[8-(2,6-difluorophenyl)-5,11-dimethyl-3,4,7,9-tetrazatricyclo[8.5.0.02,6]pentadeca-1(10),2,5,8,11,14-hexaen-14-yl]-2-(trifluoromethoxymethyl)morpholine is CC1=CCC(N2CCO[C@@H](COC(F)(F)F)C2)=CC2=C1N=C(c1c(F)cccc1F)Nc1c2n[nH]c1C.
What is the InChIKey of (2R)-4-[8-(2,6-difluorophenyl)-5,11-dimethyl-3,4,7,9-tetrazatricyclo[8.5.0.02,6]pentadeca-1(10),2,5,8,11,14-hexaen-14-yl]-2-(trifluoromethoxymethyl)morpholine?
The InChIKey is ROWPUDXOLIFHPS-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H24F5N5O2/c1-13-6-7-15(35-8-9-36-16(11-35)12-37-25(28,29)30)10-17-21(13)31-24(20-18(26)4-3-5-19(20)27)32-22-14(2)33-34-23(17)22/h3-6,10,16H,7-9,11-12H2,1-2H3,(H,31,32)(H,33,34)/t16-/m1/s1.
What are the key properties of (2R)-4-[8-(2,6-difluorophenyl)-5,11-dimethyl-3,4,7,9-tetrazatricyclo[8.5.0.02,6]pentadeca-1(10),2,5,8,11,14-hexaen-14-yl]-2-(trifluoromethoxymethyl)morpholine?
(2R)-4-[8-(2,6-difluorophenyl)-5,11-dimethyl-3,4,7,9-tetrazatricyclo[8.5.0.02,6]pentadeca-1(10),2,5,8,11,14-hexaen-14-yl]-2-(trifluoromethoxymethyl)morpholine has a molecular weight of 521.49 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[8-(2,6-difluorophenyl)-5,11-dimethyl-3,4,7,9-tetrazatricyclo[8.5.0.02,6]pentadeca-1(10),2,5,8,11,14-hexaen-14-yl]-2-(trifluoromethoxymethyl)morpholine is sourced from PubChem (CID 171630277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).