(2R,6S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)morpholine

C23H23F2N7O — CID 166121706

IUPAC(2R,6S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)morpholine
SMILESCc1nc2nc(N3C[C@@H](C)O[C@@H](c4cnn(C)c4)C3)nc(-c3ccc(F)cc3F)c2nc1C
InChIInChI=1S/C23H23F2N7O/c1-12-9-32(11-19(33-12)15-8-26-31(4)10-15)23-29-20(17-6-5-16(24)7-18(17)25)21-22(30-23)28-14(3)13(2)27-21/h5-8,10,12,19H,9,11H2,1-4H3/t12-,19-/m1/s1
InChIKeyPDPIFTSJGCFIPA-CWTRNNRKSA-N
MW451.48 g/mol
LogP3.68
Rot. Bonds3

About (2R,6S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)morpholine

(2R,6S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)morpholine (PubChem CID 166121706) has the molecular formula C23H23F2N7O and a molecular weight of 451.48 g/mol. Its IUPAC name is (2R,6S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name(2R,6S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)morpholine
PubChem CID166121706
Molecular FormulaC23H23F2N7O
Molecular Weight451.48 g/mol
Exact Mass451.19
IUPAC Name(2R,6S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)morpholine
SMILESCc1nc2nc(N3C[C@@H](C)O[C@@H](c4cnn(C)c4)C3)nc(-c3ccc(F)cc3F)c2nc1C
InChIInChI=1S/C23H23F2N7O/c1-12-9-32(11-19(33-12)15-8-26-31(4)10-15)23-29-20(17-6-5-16(24)7-18(17)25)21-22(30-23)28-14(3)13(2)27-21/h5-8,10,12,19H,9,11H2,1-4H3/t12-,19-/m1/s1
InChIKeyPDPIFTSJGCFIPA-CWTRNNRKSA-N
XLogP3.68
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-6,7-bis(trideuteriomethyl)pteridin-2-yl]-6-methylmorpholine
CID 166121864
(2R,6S)-4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
CID 157044918
(2R,6R)-4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
CID 157045344
(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-6-methyl-7-propylpteridin-2-yl]-6-methylmorpholine
CID 166123073
(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethylpteridin-2-yl]-6-methylmorpholine
CID 166122547
2-cyclopropyl-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-6-[1-(methoxymethyl)pyrazol-4-yl]morpholine
CID 166121294
(2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-4-[6-(2,4-difluorophenyl)-7-methylpurin-2-yl]-6-methylmorpholine
CID 168887841
2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]-6-methylmorpholine
CID 157045015
(2S,6S)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
CID 157044817
methyl 2-[2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 177137133
2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-6-(4,5-dihydro-1,3-oxazol-2-yl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine
CID 177137237
azetidine;4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine
CID 166121345

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of (2R,6S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)morpholine (CID 166121706) is (2R,6S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for (2R,6S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for (2R,6S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)morpholine is Cc1nc2nc(N3C[C@@H](C)O[C@@H](c4cnn(C)c4)C3)nc(-c3ccc(F)cc3F)c2nc1C.
What is the InChIKey of (2R,6S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is PDPIFTSJGCFIPA-CWTRNNRKSA-N. The full InChI is InChI=1S/C23H23F2N7O/c1-12-9-32(11-19(33-12)15-8-26-31(4)10-15)23-29-20(17-6-5-16(24)7-18(17)25)21-22(30-23)28-14(3)13(2)27-21/h5-8,10,12,19H,9,11H2,1-4H3/t12-,19-/m1/s1.
What are the key properties of (2R,6S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)morpholine?
(2R,6S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 451.48 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 166121706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).