4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)-5-(1H-pyrazol-4-yl)-7,8-dihydro-6H-pteridine

C22H24F2N6O — CID 175546362

IUPAC4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)-5-(1H-pyrazol-4-yl)-7,8-dihydro-6H-pteridine
SMILESCC1Nc2nc(C3CCOCC3)nc(-c3ccc(F)cc3F)c2N(c2cn[nH]c2)C1C
InChIInChI=1S/C22H24F2N6O/c1-12-13(2)30(16-10-25-26-11-16)20-19(17-4-3-15(23)9-18(17)24)28-21(29-22(20)27-12)14-5-7-31-8-6-14/h3-4,9-14H,5-8H2,1-2H3,(H,25,26)(H,27,28,29)
InChIKeyZQVRMRKMAGTICK-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.38
Rot. Bonds3

About 4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)-5-(1H-pyrazol-4-yl)-7,8-dihydro-6H-pteridine

4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)-5-(1H-pyrazol-4-yl)-7,8-dihydro-6H-pteridine (PubChem CID 175546362) has the molecular formula C22H24F2N6O and a molecular weight of 426.47 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)-5-(1H-pyrazol-4-yl)-7,8-dihydro-6H-pteridine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)-5-(1H-pyrazol-4-yl)-7,8-dihydro-6H-pteridine
PubChem CID175546362
Molecular FormulaC22H24F2N6O
Molecular Weight426.47 g/mol
Exact Mass426.20
IUPAC Name4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)-5-(1H-pyrazol-4-yl)-7,8-dihydro-6H-pteridine
SMILESCC1Nc2nc(C3CCOCC3)nc(-c3ccc(F)cc3F)c2N(c2cn[nH]c2)C1C
InChIInChI=1S/C22H24F2N6O/c1-12-13(2)30(16-10-25-26-11-16)20-19(17-4-3-15(23)9-18(17)24)28-21(29-22(20)27-12)14-5-7-31-8-6-14/h3-4,9-14H,5-8H2,1-2H3,(H,25,26)(H,27,28,29)
InChIKeyZQVRMRKMAGTICK-UHFFFAOYSA-N
XLogP4.38
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)-5-(1H-pyrazol-4-yl)-7,8-dihydro-6H-pteridine?
The IUPAC name of 4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)-5-(1H-pyrazol-4-yl)-7,8-dihydro-6H-pteridine (CID 175546362) is 4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)-5-(1H-pyrazol-4-yl)-7,8-dihydro-6H-pteridine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)-5-(1H-pyrazol-4-yl)-7,8-dihydro-6H-pteridine?
The canonical SMILES for 4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)-5-(1H-pyrazol-4-yl)-7,8-dihydro-6H-pteridine is CC1Nc2nc(C3CCOCC3)nc(-c3ccc(F)cc3F)c2N(c2cn[nH]c2)C1C.
What is the InChIKey of 4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)-5-(1H-pyrazol-4-yl)-7,8-dihydro-6H-pteridine?
The InChIKey is ZQVRMRKMAGTICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N6O/c1-12-13(2)30(16-10-25-26-11-16)20-19(17-4-3-15(23)9-18(17)24)28-21(29-22(20)27-12)14-5-7-31-8-6-14/h3-4,9-14H,5-8H2,1-2H3,(H,25,26)(H,27,28,29).
What are the key properties of 4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)-5-(1H-pyrazol-4-yl)-7,8-dihydro-6H-pteridine?
4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)-5-(1H-pyrazol-4-yl)-7,8-dihydro-6H-pteridine has a molecular weight of 426.47 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)-5-(1H-pyrazol-4-yl)-7,8-dihydro-6H-pteridine is sourced from PubChem (CID 175546362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).