6-(3,5-difluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one

C19H12F2N4O2 — CID 3232968

IUPAC6-(3,5-difluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one
SMILESCOc1ccc(-n2c(=O)c(-c3cc(F)cc(F)c3)nc3cncnc32)cc1
InChIInChI=1S/C19H12F2N4O2/c1-27-15-4-2-14(3-5-15)25-18-16(9-22-10-23-18)24-17(19(25)26)11-6-12(20)8-13(21)7-11/h2-10H,1H3
InChIKeyBNZILDOXIUFJHX-UHFFFAOYSA-N
MW366.33 g/mol
LogP3.13
Rot. Bonds3

About 6-(3,5-difluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one

6-(3,5-difluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one (PubChem CID 3232968) has the molecular formula C19H12F2N4O2 and a molecular weight of 366.33 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one
PubChem CID3232968
Molecular FormulaC19H12F2N4O2
Molecular Weight366.33 g/mol
Exact Mass366.09
IUPAC Name6-(3,5-difluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one
SMILESCOc1ccc(-n2c(=O)c(-c3cc(F)cc(F)c3)nc3cncnc32)cc1
InChIInChI=1S/C19H12F2N4O2/c1-27-15-4-2-14(3-5-15)25-18-16(9-22-10-23-18)24-17(19(25)26)11-6-12(20)8-13(21)7-11/h2-10H,1H3
InChIKeyBNZILDOXIUFJHX-UHFFFAOYSA-N
XLogP3.13
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Mppf F-18
CID 449646
4-Fluoro-N-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-N-2-pyridinylbenzamide
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p-(18F)MPPF
CID 5352127
Pyrido[2,3-d]pyrimidin-7-one deriv. 28
CID 5328641
2-(4-(2-diethylaminoethoxy)phenylamino)-8-ethyl-6-phenyl-8H-pyrido(2,3-d)pyrimidin-7-one
CID 5328650
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 10
CID 57340657
N-[3-[6-(2-fluorophenyl)-2-[4-(2-methoxyethoxy)anilino]-7-oxopteridin-8-yl]phenyl]prop-2-enamide
CID 166625820
2,4-Bisanilinopyrimidine, 42
CID 44224097
4-(4-Fluorophenyl)-1,2-dimethyl-5-(2-phenoxypyrimidin-4-yl)-1,2-dihydropyrazol-3-one
CID 10150429
N-[(1R)-1-[1-(4-ethoxyphenyl)-4-phenylimidazol-2-yl]ethyl]-2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide
CID 11498089
3-(2-(4-methoxyphenyl)-3-oxo-6-(3-(trifluoromethyl)benzylamino)pyrido[2,3-b]pyrazin-4(3H)-yl)propanamide
CID 24830062
N-(2-(2-(4-methoxyphenyl)-3-oxo-6-(3-(trifluoromethyl)benzylamino)pyrido[2,3-b]pyrazin-4(3H)-yl)ethyl)acetamide
CID 24830389

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one?
The IUPAC name of 6-(3,5-difluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one (CID 3232968) is 6-(3,5-difluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one.
What is the SMILES notation for 6-(3,5-difluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one?
The canonical SMILES for 6-(3,5-difluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one is COc1ccc(-n2c(=O)c(-c3cc(F)cc(F)c3)nc3cncnc32)cc1.
What is the InChIKey of 6-(3,5-difluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one?
The InChIKey is BNZILDOXIUFJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N4O2/c1-27-15-4-2-14(3-5-15)25-18-16(9-22-10-23-18)24-17(19(25)26)11-6-12(20)8-13(21)7-11/h2-10H,1H3.
What are the key properties of 6-(3,5-difluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one?
6-(3,5-difluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one has a molecular weight of 366.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one is sourced from PubChem (CID 3232968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).