(R)-(1-cyclopropylpyrazol-4-yl)-[(2R)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]morpholin-2-yl]methanol

C25H25F2N7O2 — CID 166121533

IUPAC(R)-(1-cyclopropylpyrazol-4-yl)-[(2R)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]morpholin-2-yl]methanol
SMILESCc1nc2nc(N3CCO[C@@H]([C@H](O)c4cnn(C5CC5)c4)C3)nc(-c3ccc(F)cc3F)c2nc1C
InChIInChI=1S/C25H25F2N7O2/c1-13-14(2)30-24-22(29-13)21(18-6-3-16(26)9-19(18)27)31-25(32-24)33-7-8-36-20(12-33)23(35)15-10-28-34(11-15)17-4-5-17/h3,6,9-11,17,20,23,35H,4-5,7-8,12H2,1-2H3/t20-,23-/m1/s1
InChIKeyUJUWUKXSGHFXQL-NFBKMPQASA-N
MW493.52 g/mol
LogP3.45
Rot. Bonds5

About (R)-(1-cyclopropylpyrazol-4-yl)-[(2R)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]morpholin-2-yl]methanol

(R)-(1-cyclopropylpyrazol-4-yl)-[(2R)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]morpholin-2-yl]methanol (PubChem CID 166121533) has the molecular formula C25H25F2N7O2 and a molecular weight of 493.52 g/mol. Its IUPAC name is (R)-(1-cyclopropylpyrazol-4-yl)-[(2R)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name(R)-(1-cyclopropylpyrazol-4-yl)-[(2R)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]morpholin-2-yl]methanol
PubChem CID166121533
Molecular FormulaC25H25F2N7O2
Molecular Weight493.52 g/mol
Exact Mass493.20
IUPAC Name(R)-(1-cyclopropylpyrazol-4-yl)-[(2R)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]morpholin-2-yl]methanol
SMILESCc1nc2nc(N3CCO[C@@H]([C@H](O)c4cnn(C5CC5)c4)C3)nc(-c3ccc(F)cc3F)c2nc1C
InChIInChI=1S/C25H25F2N7O2/c1-13-14(2)30-24-22(29-13)21(18-6-3-16(26)9-19(18)27)31-25(32-24)33-7-8-36-20(12-33)23(35)15-10-28-34(11-15)17-4-5-17/h3,6,9-11,17,20,23,35H,4-5,7-8,12H2,1-2H3/t20-,23-/m1/s1
InChIKeyUJUWUKXSGHFXQL-NFBKMPQASA-N
XLogP3.45
TPSA102.08 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

azetidine;4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine
CID 166121345
1-cyclopropylpyrazole;(2R)-4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-methylmorpholine
CID 157044437
4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperidin-1-yl]-6,7-dimethylpteridine
CID 166834602
4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-1,4-oxazepane
CID 166122258
4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperazin-1-yl]-6,7-dimethylpteridine
CID 166123092
(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-6,7-bis(trideuteriomethyl)pteridin-2-yl]-6-methylmorpholine
CID 166121864
(Z)-2-[amino(cyclopropyl)amino]-1-[1-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]pyrrolidin-3-yl]ethenamine;methanol
CID 177137153
(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
(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
4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine;1-(oxetan-3-ylmethyl)pyrazole
CID 166121288

Frequently Asked Questions

What is the IUPAC name of (R)-(1-cyclopropylpyrazol-4-yl)-[(2R)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]morpholin-2-yl]methanol?
The IUPAC name of (R)-(1-cyclopropylpyrazol-4-yl)-[(2R)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]morpholin-2-yl]methanol (CID 166121533) is (R)-(1-cyclopropylpyrazol-4-yl)-[(2R)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]morpholin-2-yl]methanol.
What is the SMILES notation for (R)-(1-cyclopropylpyrazol-4-yl)-[(2R)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]morpholin-2-yl]methanol?
The canonical SMILES for (R)-(1-cyclopropylpyrazol-4-yl)-[(2R)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]morpholin-2-yl]methanol is Cc1nc2nc(N3CCO[C@@H]([C@H](O)c4cnn(C5CC5)c4)C3)nc(-c3ccc(F)cc3F)c2nc1C.
What is the InChIKey of (R)-(1-cyclopropylpyrazol-4-yl)-[(2R)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]morpholin-2-yl]methanol?
The InChIKey is UJUWUKXSGHFXQL-NFBKMPQASA-N. The full InChI is InChI=1S/C25H25F2N7O2/c1-13-14(2)30-24-22(29-13)21(18-6-3-16(26)9-19(18)27)31-25(32-24)33-7-8-36-20(12-33)23(35)15-10-28-34(11-15)17-4-5-17/h3,6,9-11,17,20,23,35H,4-5,7-8,12H2,1-2H3/t20-,23-/m1/s1.
What are the key properties of (R)-(1-cyclopropylpyrazol-4-yl)-[(2R)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]morpholin-2-yl]methanol?
(R)-(1-cyclopropylpyrazol-4-yl)-[(2R)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]morpholin-2-yl]methanol has a molecular weight of 493.52 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(1-cyclopropylpyrazol-4-yl)-[(2R)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]morpholin-2-yl]methanol is sourced from PubChem (CID 166121533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).