1-(4-fluorophenyl)-7-(2-hydroxy-5-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione

C20H14FN3O4 — CID 146048975

IUPAC1-(4-fluorophenyl)-7-(2-hydroxy-5-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(O)c(-c2ccc3c(=O)[nH]c(=O)n(-c4ccc(F)cc4)c3n2)c1
InChIInChI=1S/C20H14FN3O4/c1-28-13-6-9-17(25)15(10-13)16-8-7-14-18(22-16)24(20(27)23-19(14)26)12-4-2-11(21)3-5-12/h2-10,25H,1H3,(H,23,26,27)
InChIKeySNGUPYHVKDJTHM-UHFFFAOYSA-N
MW379.35 g/mol
LogP2.59
Rot. Bonds3

About 1-(4-fluorophenyl)-7-(2-hydroxy-5-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione

1-(4-fluorophenyl)-7-(2-hydroxy-5-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 146048975) has the molecular formula C20H14FN3O4 and a molecular weight of 379.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-7-(2-hydroxy-5-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-7-(2-hydroxy-5-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID146048975
Molecular FormulaC20H14FN3O4
Molecular Weight379.35 g/mol
Exact Mass379.10
IUPAC Name1-(4-fluorophenyl)-7-(2-hydroxy-5-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(O)c(-c2ccc3c(=O)[nH]c(=O)n(-c4ccc(F)cc4)c3n2)c1
InChIInChI=1S/C20H14FN3O4/c1-28-13-6-9-17(25)15(10-13)16-8-7-14-18(22-16)24(20(27)23-19(14)26)12-4-2-11(21)3-5-12/h2-10,25H,1H3,(H,23,26,27)
InChIKeySNGUPYHVKDJTHM-UHFFFAOYSA-N
XLogP2.59
TPSA97.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-(2-hydroxy-5-methoxyphenyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 154925291
7-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-1-(4-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 135638739
7-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-1-(3-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 135638894
1-(1,3-benzodioxol-5-ylmethyl)-7-(2-hydroxy-5-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 154925268
5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 112598223
7-(2-hydroxy-4-methoxyphenyl)-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 146048739
7-(2-hydroxy-4-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 146048788
7-(2-hydroxy-4-methoxyphenyl)-1-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 146048803
7-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 117261702
7-(2-hydroxy-4-methoxyphenyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
CID 146048988
4-methoxy-2-(9H-pyrido[2,3-b]indol-2-yl)phenol
CID 137276987
7-[(4aR)-5,7-dihydroxy-3,4a,6-trimethyl-4-oxo-1-[4-(trifluoromethoxy)phenyl]-[1]benzofuro[3,2-f]indazol-8-yl]-1-(4-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 154804651

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-7-(2-hydroxy-5-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-(4-fluorophenyl)-7-(2-hydroxy-5-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 146048975) is 1-(4-fluorophenyl)-7-(2-hydroxy-5-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-7-(2-hydroxy-5-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-(4-fluorophenyl)-7-(2-hydroxy-5-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione is COc1ccc(O)c(-c2ccc3c(=O)[nH]c(=O)n(-c4ccc(F)cc4)c3n2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-7-(2-hydroxy-5-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is SNGUPYHVKDJTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O4/c1-28-13-6-9-17(25)15(10-13)16-8-7-14-18(22-16)24(20(27)23-19(14)26)12-4-2-11(21)3-5-12/h2-10,25H,1H3,(H,23,26,27).
What are the key properties of 1-(4-fluorophenyl)-7-(2-hydroxy-5-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1-(4-fluorophenyl)-7-(2-hydroxy-5-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 379.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-7-(2-hydroxy-5-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 146048975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).