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

C48H42F9N9O3 — CID 159984979

IUPAC(2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine;bis((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.FC(F)(F)c1cnc2[nH]c3ccc([C@@H]4CNCCO4)cc3c2c1
InChIInChI=1S/3C16H14F3N3O/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;2*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);2*1-2,5-7,14,20H,3-4,8H2,(H,21,22)/t13-;2*14-/m100/s1
InChIKeyOGFJUTJVNRTKJY-RQTBGDMOSA-N
MW963.91 g/mol
LogP10.19
Rot. Bonds3

About (2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine;bis((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;bis((2R)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine) (PubChem CID 159984979) has the molecular formula C48H42F9N9O3 and a molecular weight of 963.91 g/mol. Its IUPAC name is (2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine;bis((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;bis((2R)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine)
PubChem CID159984979
Molecular FormulaC48H42F9N9O3
Molecular Weight963.91 g/mol
Exact Mass963.33
IUPAC Name(2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine;bis((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.FC(F)(F)c1cnc2[nH]c3ccc([C@@H]4CNCCO4)cc3c2c1
InChIInChI=1S/3C16H14F3N3O/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;2*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);2*1-2,5-7,14,20H,3-4,8H2,(H,21,22)/t13-;2*14-/m100/s1
InChIKeyOGFJUTJVNRTKJY-RQTBGDMOSA-N
XLogP10.19
TPSA149.82 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500963.91
LogP ≤ 510.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze (2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine;bis((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
(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
2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine
CID 78140695
2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine
CID 78140697
(2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine;hydrochloride
CID 89689403
2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine;hydrochloride
CID 89689404
(2S)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine;hydrochloride
CID 89689418
2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine;hydrochloride
CID 89689419
(2R)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine;hydrochloride
CID 89689445

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine;bis((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;bis((2R)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine) (CID 159984979) is (2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine;bis((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;bis((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;bis((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.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;bis((2R)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine)?
The InChIKey is OGFJUTJVNRTKJY-RQTBGDMOSA-N. The full InChI is InChI=1S/3C16H14F3N3O/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;2*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);2*1-2,5-7,14,20H,3-4,8H2,(H,21,22)/t13-;2*14-/m100/s1.
What are the key properties of (2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine;bis((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;bis((2R)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine) has a molecular weight of 963.91 g/mol, XLogP of 10.19, 3 rotatable bonds, 6 hydrogen bond donors, and 9 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;bis((2R)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine) is sourced from PubChem (CID 159984979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).