5-[(9S)-4-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-6-yl]-4-(trifluoromethyl)pyridin-2-amine

C19H21F3N6O2 — CID 118000036

IUPAC5-[(9S)-4-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-6-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)nc3c2C[C@H]2COCCN32)cn1
InChIInChI=1S/C19H21F3N6O2/c20-19(21,22)14-8-15(23)24-9-13(14)16-12-7-11-10-30-6-3-28(11)17(12)26-18(25-16)27-1-4-29-5-2-27/h8-9,11H,1-7,10H2,(H2,23,24)/t11-/m0/s1
InChIKeyGLPWETMUURNSHR-NSHDSACASA-N
MW422.41 g/mol
LogP1.74
Rot. Bonds2

About 5-[(9S)-4-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-6-yl]-4-(trifluoromethyl)pyridin-2-amine

5-[(9S)-4-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-6-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 118000036) has the molecular formula C19H21F3N6O2 and a molecular weight of 422.41 g/mol. Its IUPAC name is 5-[(9S)-4-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-6-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[(9S)-4-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-6-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID118000036
Molecular FormulaC19H21F3N6O2
Molecular Weight422.41 g/mol
Exact Mass422.17
IUPAC Name5-[(9S)-4-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-6-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)nc3c2C[C@H]2COCCN32)cn1
InChIInChI=1S/C19H21F3N6O2/c20-19(21,22)14-8-15(23)24-9-13(14)16-12-7-11-10-30-6-3-28(11)17(12)26-18(25-16)27-1-4-29-5-2-27/h8-9,11H,1-7,10H2,(H2,23,24)/t11-/m0/s1
InChIKeyGLPWETMUURNSHR-NSHDSACASA-N
XLogP1.74
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[(9S)-4-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-6-yl]-4-(trifluoromethyl)pyridin-2-amine 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

5-[(5aS)-4-morpholin-4-yl-5,5a,6,7,8,9-hexahydropyrimido[5,4-b]indolizin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 155530040
5-(6-morpholin-4-yl-11,11-dioxo-11λ6-thia-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 123201617
5-[4-(2,6-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 76807790
5-[4-(2,5-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 76807779
5-[4-(4-methylsulfonylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 58508292
5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 118012137
5-[2-morpholin-4-yl-6-(3-phenylmorpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 59507653
5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;methane
CID 144743484
5-[6-[3-(4-fluorophenyl)morpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 59507849
5-(2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 59507833
5-(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 145100358
4-(1,1-difluoropropyl)-5-(5-ethenyl-2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine
CID 162557597

Frequently Asked Questions

What is the IUPAC name of 5-[(9S)-4-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-6-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[(9S)-4-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-6-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 118000036) is 5-[(9S)-4-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-6-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[(9S)-4-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-6-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[(9S)-4-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-6-yl]-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)nc3c2C[C@H]2COCCN32)cn1.
What is the InChIKey of 5-[(9S)-4-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-6-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is GLPWETMUURNSHR-NSHDSACASA-N. The full InChI is InChI=1S/C19H21F3N6O2/c20-19(21,22)14-8-15(23)24-9-13(14)16-12-7-11-10-30-6-3-28(11)17(12)26-18(25-16)27-1-4-29-5-2-27/h8-9,11H,1-7,10H2,(H2,23,24)/t11-/m0/s1.
What are the key properties of 5-[(9S)-4-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-6-yl]-4-(trifluoromethyl)pyridin-2-amine?
5-[(9S)-4-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-6-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 422.41 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(9S)-4-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-6-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 118000036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).