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

C46H43ClF3N9O3 — CID 159179242

IUPAC(2S)-2-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)morpholine;(2S)-2-(9H-pyrido[2,3-b]indol-6-yl)morpholine;(2S)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine
SMILESClc1cnc2[nH]c3ccc([C@H]4CNCCO4)cc3c2c1.FC(F)(F)c1cnc2[nH]c3ccc([C@H]4CNCCO4)cc3c2c1.c1cnc2[nH]c3ccc([C@H]4CNCCO4)cc3c2c1
InChIInChI=1S/C16H14F3N3O.C15H14ClN3O.C15H15N3O/c17-16(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;16-10-6-12-11-5-9(14-8-17-3-4-20-14)1-2-13(11)19-15(12)18-7-10;1-2-11-12-8-10(14-9-16-6-7-19-14)3-4-13(12)18-15(11)17-5-1/h1-2,5-7,14,20H,3-4,8H2,(H,21,22);1-2,5-7,14,17H,3-4,8H2,(H,18,19);1-5,8,14,16H,6-7,9H2,(H,17,18)/t3*14-/m111/s1
InChIKeyKMRGFPMMBORNMR-GBYZCGIESA-N
MW862.36 g/mol
LogP8.80
Rot. Bonds3

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

(2S)-2-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)morpholine;(2S)-2-(9H-pyrido[2,3-b]indol-6-yl)morpholine;(2S)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine (PubChem CID 159179242) has the molecular formula C46H43ClF3N9O3 and a molecular weight of 862.36 g/mol. Its IUPAC name is (2S)-2-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)morpholine;(2S)-2-(9H-pyrido[2,3-b]indol-6-yl)morpholine;(2S)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine.

Molecular Properties

Compound Name(2S)-2-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)morpholine;(2S)-2-(9H-pyrido[2,3-b]indol-6-yl)morpholine;(2S)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine
PubChem CID159179242
Molecular FormulaC46H43ClF3N9O3
Molecular Weight862.36 g/mol
Exact Mass861.31
IUPAC Name(2S)-2-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)morpholine;(2S)-2-(9H-pyrido[2,3-b]indol-6-yl)morpholine;(2S)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine
SMILESClc1cnc2[nH]c3ccc([C@H]4CNCCO4)cc3c2c1.FC(F)(F)c1cnc2[nH]c3ccc([C@H]4CNCCO4)cc3c2c1.c1cnc2[nH]c3ccc([C@H]4CNCCO4)cc3c2c1
InChIInChI=1S/C16H14F3N3O.C15H14ClN3O.C15H15N3O/c17-16(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;16-10-6-12-11-5-9(14-8-17-3-4-20-14)1-2-13(11)19-15(12)18-7-10;1-2-11-12-8-10(14-9-16-6-7-19-14)3-4-13(12)18-15(11)17-5-1/h1-2,5-7,14,20H,3-4,8H2,(H,21,22);1-2,5-7,14,17H,3-4,8H2,(H,18,19);1-5,8,14,16H,6-7,9H2,(H,17,18)/t3*14-/m111/s1
InChIKeyKMRGFPMMBORNMR-GBYZCGIESA-N
XLogP8.80
TPSA149.82 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500862.36
LogP ≤ 58.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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

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Related Compounds

(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
N-benzyl-5-chloro-6-(2-morpholin-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
CID 86292048
2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine
CID 78140695
(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
5-chloro-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridin-2-amine;N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 159744679
(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
(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
bis[2-[1-methyl-3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)indol-5-yl]morpholin-4-yl]methanone
CID 67158088

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)morpholine;(2S)-2-(9H-pyrido[2,3-b]indol-6-yl)morpholine;(2S)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine?
The IUPAC name of (2S)-2-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)morpholine;(2S)-2-(9H-pyrido[2,3-b]indol-6-yl)morpholine;(2S)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine (CID 159179242) is (2S)-2-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)morpholine;(2S)-2-(9H-pyrido[2,3-b]indol-6-yl)morpholine;(2S)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine.
What is the SMILES notation for (2S)-2-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)morpholine;(2S)-2-(9H-pyrido[2,3-b]indol-6-yl)morpholine;(2S)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine?
The canonical SMILES for (2S)-2-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)morpholine;(2S)-2-(9H-pyrido[2,3-b]indol-6-yl)morpholine;(2S)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine is Clc1cnc2[nH]c3ccc([C@H]4CNCCO4)cc3c2c1.FC(F)(F)c1cnc2[nH]c3ccc([C@H]4CNCCO4)cc3c2c1.c1cnc2[nH]c3ccc([C@H]4CNCCO4)cc3c2c1.
What is the InChIKey of (2S)-2-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)morpholine;(2S)-2-(9H-pyrido[2,3-b]indol-6-yl)morpholine;(2S)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine?
The InChIKey is KMRGFPMMBORNMR-GBYZCGIESA-N. The full InChI is InChI=1S/C16H14F3N3O.C15H14ClN3O.C15H15N3O/c17-16(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;16-10-6-12-11-5-9(14-8-17-3-4-20-14)1-2-13(11)19-15(12)18-7-10;1-2-11-12-8-10(14-9-16-6-7-19-14)3-4-13(12)18-15(11)17-5-1/h1-2,5-7,14,20H,3-4,8H2,(H,21,22);1-2,5-7,14,17H,3-4,8H2,(H,18,19);1-5,8,14,16H,6-7,9H2,(H,17,18)/t3*14-/m111/s1.
What are the key properties of (2S)-2-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)morpholine;(2S)-2-(9H-pyrido[2,3-b]indol-6-yl)morpholine;(2S)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine?
(2S)-2-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)morpholine;(2S)-2-(9H-pyrido[2,3-b]indol-6-yl)morpholine;(2S)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine has a molecular weight of 862.36 g/mol, XLogP of 8.80, 3 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)morpholine;(2S)-2-(9H-pyrido[2,3-b]indol-6-yl)morpholine;(2S)-2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine is sourced from PubChem (CID 159179242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).