(2S)-4-[2,3-dimethyl-5-[4-(trifluoromethyl)cyclopenta-2,3-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylmorpholine

C20H21F3N4O — CID 157044552

IUPAC(2S)-4-[2,3-dimethyl-5-[4-(trifluoromethyl)cyclopenta-2,3-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylmorpholine
SMILESCc1nc2cc(N3CCO[C@@H](C)C3)nc(C3C=C=C(C(F)(F)F)C3)c2nc1C
InChIInChI=1S/C20H21F3N4O/c1-11-10-27(6-7-28-11)17-9-16-19(25-13(3)12(2)24-16)18(26-17)14-4-5-15(8-14)20(21,22)23/h4,9,11,14H,6-8,10H2,1-3H3/t11-,14?/m0/s1
InChIKeyXMJNOHBIFKYEKC-ZSOXZCCMSA-N
MW390.41 g/mol
LogP4.00
Rot. Bonds2

About (2S)-4-[2,3-dimethyl-5-[4-(trifluoromethyl)cyclopenta-2,3-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylmorpholine

(2S)-4-[2,3-dimethyl-5-[4-(trifluoromethyl)cyclopenta-2,3-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylmorpholine (PubChem CID 157044552) has the molecular formula C20H21F3N4O and a molecular weight of 390.41 g/mol. Its IUPAC name is (2S)-4-[2,3-dimethyl-5-[4-(trifluoromethyl)cyclopenta-2,3-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylmorpholine.

Molecular Properties

Compound Name(2S)-4-[2,3-dimethyl-5-[4-(trifluoromethyl)cyclopenta-2,3-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylmorpholine
PubChem CID157044552
Molecular FormulaC20H21F3N4O
Molecular Weight390.41 g/mol
Exact Mass390.17
IUPAC Name(2S)-4-[2,3-dimethyl-5-[4-(trifluoromethyl)cyclopenta-2,3-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylmorpholine
SMILESCc1nc2cc(N3CCO[C@@H](C)C3)nc(C3C=C=C(C(F)(F)F)C3)c2nc1C
InChIInChI=1S/C20H21F3N4O/c1-11-10-27(6-7-28-11)17-9-16-19(25-13(3)12(2)24-16)18(26-17)14-4-5-15(8-14)20(21,22)23/h4,9,11,14H,6-8,10H2,1-3H3/t11-,14?/m0/s1
InChIKeyXMJNOHBIFKYEKC-ZSOXZCCMSA-N
XLogP4.00
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-4-[2,3-dimethyl-5-[4-(trifluoromethyl)cyclopenta-2,3-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylmorpholine with MolForge

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Related Compounds

4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]-2-methylmorpholine
CID 171392327
1-cyclopropylpyrazole;(2R)-2-methyl-4-[2-methyl-5-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]morpholine
CID 166121536
2-methyl-6-(2-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80764461
1-cyclopropylpyrazole;4-[2,3-dimethyl-5-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]morpholine;ethane
CID 157045875
4-(5-iodoquinolin-2-yl)-2-methylmorpholine
CID 67098519
4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-2-methylmorpholine
CID 80949359
methyl 4-methyl-6-[(2R)-2-methylmorpholin-4-yl]pyridine-2-carboxylate
CID 172634298
8-bromo-2-(2-methylmorpholin-4-yl)quinoxaline-6-carboxylic acid
CID 129030010
1-cyclopropylpyrazole;4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-methylmorpholine
CID 166121741
2-cyclopropyl-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 137008986
azetidine;4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine
CID 166121345
4-(5-cyclobutyl-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl)morpholine;1-cyclopropylpyrazole;fluoroform
CID 157045478

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2,3-dimethyl-5-[4-(trifluoromethyl)cyclopenta-2,3-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylmorpholine?
The IUPAC name of (2S)-4-[2,3-dimethyl-5-[4-(trifluoromethyl)cyclopenta-2,3-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylmorpholine (CID 157044552) is (2S)-4-[2,3-dimethyl-5-[4-(trifluoromethyl)cyclopenta-2,3-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylmorpholine.
What is the SMILES notation for (2S)-4-[2,3-dimethyl-5-[4-(trifluoromethyl)cyclopenta-2,3-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylmorpholine?
The canonical SMILES for (2S)-4-[2,3-dimethyl-5-[4-(trifluoromethyl)cyclopenta-2,3-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylmorpholine is Cc1nc2cc(N3CCO[C@@H](C)C3)nc(C3C=C=C(C(F)(F)F)C3)c2nc1C.
What is the InChIKey of (2S)-4-[2,3-dimethyl-5-[4-(trifluoromethyl)cyclopenta-2,3-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylmorpholine?
The InChIKey is XMJNOHBIFKYEKC-ZSOXZCCMSA-N. The full InChI is InChI=1S/C20H21F3N4O/c1-11-10-27(6-7-28-11)17-9-16-19(25-13(3)12(2)24-16)18(26-17)14-4-5-15(8-14)20(21,22)23/h4,9,11,14H,6-8,10H2,1-3H3/t11-,14?/m0/s1.
What are the key properties of (2S)-4-[2,3-dimethyl-5-[4-(trifluoromethyl)cyclopenta-2,3-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylmorpholine?
(2S)-4-[2,3-dimethyl-5-[4-(trifluoromethyl)cyclopenta-2,3-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylmorpholine has a molecular weight of 390.41 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2,3-dimethyl-5-[4-(trifluoromethyl)cyclopenta-2,3-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylmorpholine is sourced from PubChem (CID 157044552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).