4-[6,7-dimethyl-4-[6-(trifluoromethyl)-3-pyridinyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine

C24H22F3N7O2 — CID 157045695

IUPAC4-[6,7-dimethyl-4-[6-(trifluoromethyl)-3-pyridinyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine
SMILESCOc1cc(C2CN(c3nc(-c4ccc(C(F)(F)F)nc4)c4nc(C)c(C)nc4n3)CCO2)ccn1
InChIInChI=1S/C24H22F3N7O2/c1-13-14(2)31-22-21(30-13)20(16-4-5-18(29-11-16)24(25,26)27)32-23(33-22)34-8-9-36-17(12-34)15-6-7-28-19(10-15)35-3/h4-7,10-11,17H,8-9,12H2,1-3H3
InChIKeyHDWATRBDRMWNCE-UHFFFAOYSA-N
MW497.48 g/mol
LogP4.10
Rot. Bonds4

About 4-[6,7-dimethyl-4-[6-(trifluoromethyl)-3-pyridinyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine

4-[6,7-dimethyl-4-[6-(trifluoromethyl)-3-pyridinyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine (PubChem CID 157045695) has the molecular formula C24H22F3N7O2 and a molecular weight of 497.48 g/mol. Its IUPAC name is 4-[6,7-dimethyl-4-[6-(trifluoromethyl)-3-pyridinyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine.

Molecular Properties

Compound Name4-[6,7-dimethyl-4-[6-(trifluoromethyl)-3-pyridinyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine
PubChem CID157045695
Molecular FormulaC24H22F3N7O2
Molecular Weight497.48 g/mol
Exact Mass497.18
IUPAC Name4-[6,7-dimethyl-4-[6-(trifluoromethyl)-3-pyridinyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine
SMILESCOc1cc(C2CN(c3nc(-c4ccc(C(F)(F)F)nc4)c4nc(C)c(C)nc4n3)CCO2)ccn1
InChIInChI=1S/C24H22F3N7O2/c1-13-14(2)31-22-21(30-13)20(16-4-5-18(29-11-16)24(25,26)27)32-23(33-22)34-8-9-36-17(12-34)15-6-7-28-19(10-15)35-3/h4-7,10-11,17H,8-9,12H2,1-3H3
InChIKeyHDWATRBDRMWNCE-UHFFFAOYSA-N
XLogP4.10
TPSA99.04 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.48
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[6,7-dimethyl-4-[6-(trifluoromethyl)-3-pyridinyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine with MolForge

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Related Compounds

(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
2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine
CID 157044639
(2S)-4-[6,7-dimethyl-4-(6-methyl-3-pyridinyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157045160
(2S)-4-[4-(4-chloro-2,5-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(2-methyl-4-pyridinyl)morpholine
CID 157045863
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
(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
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
3-fluoro-4-[6-[2-(2-methoxy-4-pyridinyl)morpholin-4-yl]-3-methyl-4-oxo-2-(trifluoromethyl)pyrimido[5,4-d]pyrimidin-8-yl]benzonitrile
CID 176824919
(2R)-4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-6,7-dimethylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)morpholine
CID 166122963
2,3-dimethyl-6-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-d]pyrimidin-4-one
CID 170711533
2-(2-methoxy-4-pyridinyl)-4-methylmorpholine
CID 177322257

Frequently Asked Questions

What is the IUPAC name of 4-[6,7-dimethyl-4-[6-(trifluoromethyl)-3-pyridinyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine?
The IUPAC name of 4-[6,7-dimethyl-4-[6-(trifluoromethyl)-3-pyridinyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine (CID 157045695) is 4-[6,7-dimethyl-4-[6-(trifluoromethyl)-3-pyridinyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine.
What is the SMILES notation for 4-[6,7-dimethyl-4-[6-(trifluoromethyl)-3-pyridinyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine?
The canonical SMILES for 4-[6,7-dimethyl-4-[6-(trifluoromethyl)-3-pyridinyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine is COc1cc(C2CN(c3nc(-c4ccc(C(F)(F)F)nc4)c4nc(C)c(C)nc4n3)CCO2)ccn1.
What is the InChIKey of 4-[6,7-dimethyl-4-[6-(trifluoromethyl)-3-pyridinyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine?
The InChIKey is HDWATRBDRMWNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N7O2/c1-13-14(2)31-22-21(30-13)20(16-4-5-18(29-11-16)24(25,26)27)32-23(33-22)34-8-9-36-17(12-34)15-6-7-28-19(10-15)35-3/h4-7,10-11,17H,8-9,12H2,1-3H3.
What are the key properties of 4-[6,7-dimethyl-4-[6-(trifluoromethyl)-3-pyridinyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine?
4-[6,7-dimethyl-4-[6-(trifluoromethyl)-3-pyridinyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine has a molecular weight of 497.48 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6,7-dimethyl-4-[6-(trifluoromethyl)-3-pyridinyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine is sourced from PubChem (CID 157045695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).