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

C22H18FN3O3 — CID 20879746

IUPAC1-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(=O)c3cccnc3n(Cc3ccccc3F)c2=O)cc1
InChIInChI=1S/C22H18FN3O3/c1-29-17-10-8-15(9-11-17)13-26-21(27)18-6-4-12-24-20(18)25(22(26)28)14-16-5-2-3-7-19(16)23/h2-12H,13-14H2,1H3
InChIKeyXRGJYZFHHUYXJE-UHFFFAOYSA-N
MW391.40 g/mol
LogP2.80
Rot. Bonds5

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

1-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 20879746) has the molecular formula C22H18FN3O3 and a molecular weight of 391.40 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID20879746
Molecular FormulaC22H18FN3O3
Molecular Weight391.40 g/mol
Exact Mass391.13
IUPAC Name1-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(=O)c3cccnc3n(Cc3ccccc3F)c2=O)cc1
InChIInChI=1S/C22H18FN3O3/c1-29-17-10-8-15(9-11-17)13-26-21(27)18-6-4-12-24-20(18)25(22(26)28)14-16-5-2-3-7-19(16)23/h2-12H,13-14H2,1H3
InChIKeyXRGJYZFHHUYXJE-UHFFFAOYSA-N
XLogP2.80
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 20879746) is 1-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione is COc1ccc(Cn2c(=O)c3cccnc3n(Cc3ccccc3F)c2=O)cc1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is XRGJYZFHHUYXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3/c1-29-17-10-8-15(9-11-17)13-26-21(27)18-6-4-12-24-20(18)25(22(26)28)14-16-5-2-3-7-19(16)23/h2-12H,13-14H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
1-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 391.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 20879746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).