(2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine;(2R)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine

C32H28F6N6O2 — CID 160663036

IUPAC(2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine;(2R)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine
SMILESFC(F)(F)c1ccc2c(n1)[nH]c1ccc([C@H]3CNCCO3)cc12.FC(F)(F)c1cnc2[nH]c3ccc([C@@H]4CNCCO4)cc3c2c1
InChIInChI=1S/2C16H14F3N3O/c17-16(18,19)14-4-2-10-11-7-9(13-8-20-5-6-23-13)1-3-12(11)21-15(10)22-14;17-16(18,19)10-6-12-11-5-9(14-8-20-3-4-23-14)1-2-13(11)22-15(12)21-7-10/h1-4,7,13,20H,5-6,8H2,(H,21,22);1-2,5-7,14,20H,3-4,8H2,(H,21,22)/t13-;14-/m10/s1
InChIKeyRLXROHOIQOQYLD-KHAUVTNHSA-N
MW642.60 g/mol
LogP6.79
Rot. Bonds2

About (2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine;(2R)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine

(2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine;(2R)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine (PubChem CID 160663036) has the molecular formula C32H28F6N6O2 and a molecular weight of 642.60 g/mol. Its IUPAC name is (2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine;(2R)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine.

Molecular Properties

Compound Name(2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine;(2R)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine
PubChem CID160663036
Molecular FormulaC32H28F6N6O2
Molecular Weight642.60 g/mol
Exact Mass642.22
IUPAC Name(2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine;(2R)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine
SMILESFC(F)(F)c1ccc2c(n1)[nH]c1ccc([C@H]3CNCCO3)cc12.FC(F)(F)c1cnc2[nH]c3ccc([C@@H]4CNCCO4)cc3c2c1
InChIInChI=1S/2C16H14F3N3O/c17-16(18,19)14-4-2-10-11-7-9(13-8-20-5-6-23-13)1-3-12(11)21-15(10)22-14;17-16(18,19)10-6-12-11-5-9(14-8-20-3-4-23-14)1-2-13(11)22-15(12)21-7-10/h1-4,7,13,20H,5-6,8H2,(H,21,22);1-2,5-7,14,20H,3-4,8H2,(H,21,22)/t13-;14-/m10/s1
InChIKeyRLXROHOIQOQYLD-KHAUVTNHSA-N
XLogP6.79
TPSA99.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.60
LogP ≤ 56.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine;(2R)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine with MolForge

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Related Compounds

(2S)-2-(9H-pyrido[2,3-b]indol-6-yl)morpholine
CID 71656899
(2S)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine
CID 71656986
(2S)-2-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)morpholine
CID 71656987
(2R)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine
CID 71656988
(2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine
CID 71656989
(2S)-2-(2-propan-2-yloxy-9H-pyrimido[4,5-b]indol-6-yl)morpholine
CID 71656990
(1S,8aR)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-3-(1H-imidazol-2-yl)-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine
CID 57390101
4-[6-(oxan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 164544514
(S)-4-(6-(3,4-dihydropyran-6-yl)-1H-pyrrol[2,3-b]pyridin-3-yl)-N-(piperidin-3-yl)-5-(trifluoromethyl)pyrimidine-2-amine
CID 164544561
1-(4-(3-(2-(difluoromethyl)pyridin-4-yl)-2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)benzyl)piperidin-3-ol
CID 168207186
4-[6-(oxan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 171441850
[3-(9-{1-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl}-6-morpholin-4-yl-9H-purin-2-yl)phenyl]methanol
CID 25073079

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine;(2R)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine?
The IUPAC name of (2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine;(2R)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine (CID 160663036) is (2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine;(2R)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine.
What is the SMILES notation for (2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine;(2R)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine?
The canonical SMILES for (2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine;(2R)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine is FC(F)(F)c1ccc2c(n1)[nH]c1ccc([C@H]3CNCCO3)cc12.FC(F)(F)c1cnc2[nH]c3ccc([C@@H]4CNCCO4)cc3c2c1.
What is the InChIKey of (2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine;(2R)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine?
The InChIKey is RLXROHOIQOQYLD-KHAUVTNHSA-N. The full InChI is InChI=1S/2C16H14F3N3O/c17-16(18,19)14-4-2-10-11-7-9(13-8-20-5-6-23-13)1-3-12(11)21-15(10)22-14;17-16(18,19)10-6-12-11-5-9(14-8-20-3-4-23-14)1-2-13(11)22-15(12)21-7-10/h1-4,7,13,20H,5-6,8H2,(H,21,22);1-2,5-7,14,20H,3-4,8H2,(H,21,22)/t13-;14-/m10/s1.
What are the key properties of (2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine;(2R)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine?
(2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine;(2R)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine has a molecular weight of 642.60 g/mol, XLogP of 6.79, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine;(2R)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine is sourced from PubChem (CID 160663036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).