2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine

C25H26F3N5O — CID 157044830

IUPAC2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine
SMILESCc1cc(C2CN(c3cc4nc(C)cnc4c(C4CC5(C(F)(F)F)CC4C5)n3)CCO2)ccn1
InChIInChI=1S/C25H26F3N5O/c1-14-7-16(3-4-29-14)20-13-33(5-6-34-20)21-8-19-23(30-12-15(2)31-19)22(32-21)18-11-24(25(26,27)28)9-17(18)10-24/h3-4,7-8,12,17-18,20H,5-6,9-11,13H2,1-2H3
InChIKeyRCYLGFHJGOMDTE-UHFFFAOYSA-N
MW469.51 g/mol
LogP5.06
Rot. Bonds3

About 2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine

2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine (PubChem CID 157044830) has the molecular formula C25H26F3N5O and a molecular weight of 469.51 g/mol. Its IUPAC name is 2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine.

Molecular Properties

Compound Name2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine
PubChem CID157044830
Molecular FormulaC25H26F3N5O
Molecular Weight469.51 g/mol
Exact Mass469.21
IUPAC Name2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine
SMILESCc1cc(C2CN(c3cc4nc(C)cnc4c(C4CC5(C(F)(F)F)CC4C5)n3)CCO2)ccn1
InChIInChI=1S/C25H26F3N5O/c1-14-7-16(3-4-29-14)20-13-33(5-6-34-20)21-8-19-23(30-12-15(2)31-19)22(32-21)18-11-24(25(26,27)28)9-17(18)10-24/h3-4,7-8,12,17-18,20H,5-6,9-11,13H2,1-2H3
InChIKeyRCYLGFHJGOMDTE-UHFFFAOYSA-N
XLogP5.06
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.51
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine
CID 157044639
(2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyl-4-[2-methyl-5-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine
CID 166834684
2,3-dimethyl-7-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-d]pyrimidin-4-one
CID 166830859
(2S)-2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine
CID 166834560
(2R)-4-[6,7-dimethyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 166834526
2,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-8-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-d]pyrimidin-4-one
CID 170711724
(2S)-4-(8-chloro-2,3-dimethylquinoxalin-6-yl)-2-(2-methyl-4-pyridinyl)morpholine
CID 157045232
5-(2,4-difluorophenyl)-2,3-dimethyl-7-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830816
(2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine
CID 157045162
(2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)but-3-enyl]pteridin-2-yl]-2-(2-methyl-4-pyridinyl)morpholine
CID 167284147
4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(2-methyl-4-pyridinyl)morpholine;difluoromethane
CID 157045000
13-(4-chloro-2-fluorophenyl)-11-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2,7,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,9,11-tetraen-8-one
CID 177151970

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine?
The IUPAC name of 2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine (CID 157044830) is 2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine.
What is the SMILES notation for 2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine?
The canonical SMILES for 2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine is Cc1cc(C2CN(c3cc4nc(C)cnc4c(C4CC5(C(F)(F)F)CC4C5)n3)CCO2)ccn1.
What is the InChIKey of 2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine?
The InChIKey is RCYLGFHJGOMDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O/c1-14-7-16(3-4-29-14)20-13-33(5-6-34-20)21-8-19-23(30-12-15(2)31-19)22(32-21)18-11-24(25(26,27)28)9-17(18)10-24/h3-4,7-8,12,17-18,20H,5-6,9-11,13H2,1-2H3.
What are the key properties of 2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine?
2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine has a molecular weight of 469.51 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine is sourced from PubChem (CID 157044830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).