(2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2-fluoro-4-methylphenyl)-6,7-dimethylpteridin-2-yl]morpholine

C25H26FN7O — CID 157044471

IUPAC(2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2-fluoro-4-methylphenyl)-6,7-dimethylpteridin-2-yl]morpholine
SMILESCc1ccc(-c2nc(N3CCO[C@H](c4cnn(C5CC5)c4)C3)nc3nc(C)c(C)nc23)c(F)c1
InChIInChI=1S/C25H26FN7O/c1-14-4-7-19(20(26)10-14)22-23-24(29-16(3)15(2)28-23)31-25(30-22)32-8-9-34-21(13-32)17-11-27-33(12-17)18-5-6-18/h4,7,10-12,18,21H,5-6,8-9,13H2,1-3H3/t21-/m0/s1
InChIKeyXOCRXWYFEJNXNI-NRFANRHFSA-N
MW459.53 g/mol
LogP4.26
Rot. Bonds4

About (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2-fluoro-4-methylphenyl)-6,7-dimethylpteridin-2-yl]morpholine

(2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2-fluoro-4-methylphenyl)-6,7-dimethylpteridin-2-yl]morpholine (PubChem CID 157044471) has the molecular formula C25H26FN7O and a molecular weight of 459.53 g/mol. Its IUPAC name is (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2-fluoro-4-methylphenyl)-6,7-dimethylpteridin-2-yl]morpholine.

Molecular Properties

Compound Name(2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2-fluoro-4-methylphenyl)-6,7-dimethylpteridin-2-yl]morpholine
PubChem CID157044471
Molecular FormulaC25H26FN7O
Molecular Weight459.53 g/mol
Exact Mass459.22
IUPAC Name(2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2-fluoro-4-methylphenyl)-6,7-dimethylpteridin-2-yl]morpholine
SMILESCc1ccc(-c2nc(N3CCO[C@H](c4cnn(C5CC5)c4)C3)nc3nc(C)c(C)nc23)c(F)c1
InChIInChI=1S/C25H26FN7O/c1-14-4-7-19(20(26)10-14)22-23-24(29-16(3)15(2)28-23)31-25(30-22)32-8-9-34-21(13-32)17-11-27-33(12-17)18-5-6-18/h4,7,10-12,18,21H,5-6,8-9,13H2,1-3H3/t21-/m0/s1
InChIKeyXOCRXWYFEJNXNI-NRFANRHFSA-N
XLogP4.26
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2-fluoro-4-methylphenyl)-6,7-dimethylpteridin-2-yl]morpholine?
The IUPAC name of (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2-fluoro-4-methylphenyl)-6,7-dimethylpteridin-2-yl]morpholine (CID 157044471) is (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2-fluoro-4-methylphenyl)-6,7-dimethylpteridin-2-yl]morpholine.
What is the SMILES notation for (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2-fluoro-4-methylphenyl)-6,7-dimethylpteridin-2-yl]morpholine?
The canonical SMILES for (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2-fluoro-4-methylphenyl)-6,7-dimethylpteridin-2-yl]morpholine is Cc1ccc(-c2nc(N3CCO[C@H](c4cnn(C5CC5)c4)C3)nc3nc(C)c(C)nc23)c(F)c1.
What is the InChIKey of (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2-fluoro-4-methylphenyl)-6,7-dimethylpteridin-2-yl]morpholine?
The InChIKey is XOCRXWYFEJNXNI-NRFANRHFSA-N. The full InChI is InChI=1S/C25H26FN7O/c1-14-4-7-19(20(26)10-14)22-23-24(29-16(3)15(2)28-23)31-25(30-22)32-8-9-34-21(13-32)17-11-27-33(12-17)18-5-6-18/h4,7,10-12,18,21H,5-6,8-9,13H2,1-3H3/t21-/m0/s1.
What are the key properties of (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2-fluoro-4-methylphenyl)-6,7-dimethylpteridin-2-yl]morpholine?
(2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2-fluoro-4-methylphenyl)-6,7-dimethylpteridin-2-yl]morpholine has a molecular weight of 459.53 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2-fluoro-4-methylphenyl)-6,7-dimethylpteridin-2-yl]morpholine is sourced from PubChem (CID 157044471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).