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

C24H22FN3O4 — CID 20879791

IUPAC3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(CCn2c(=O)c3cccnc3n(Cc3cccc(F)c3)c2=O)cc1OC
InChIInChI=1S/C24H22FN3O4/c1-31-20-9-8-16(14-21(20)32-2)10-12-27-23(29)19-7-4-11-26-22(19)28(24(27)30)15-17-5-3-6-18(25)13-17/h3-9,11,13-14H,10,12,15H2,1-2H3
InChIKeyDKNLKQBOOWSMPX-UHFFFAOYSA-N
MW435.46 g/mol
LogP3.01
Rot. Bonds7

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

3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 20879791) has the molecular formula C24H22FN3O4 and a molecular weight of 435.46 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID20879791
Molecular FormulaC24H22FN3O4
Molecular Weight435.46 g/mol
Exact Mass435.16
IUPAC Name3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(CCn2c(=O)c3cccnc3n(Cc3cccc(F)c3)c2=O)cc1OC
InChIInChI=1S/C24H22FN3O4/c1-31-20-9-8-16(14-21(20)32-2)10-12-27-23(29)19-7-4-11-26-22(19)28(24(27)30)15-17-5-3-6-18(25)13-17/h3-9,11,13-14H,10,12,15H2,1-2H3
InChIKeyDKNLKQBOOWSMPX-UHFFFAOYSA-N
XLogP3.01
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 20879791) is 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione is COc1ccc(CCn2c(=O)c3cccnc3n(Cc3cccc(F)c3)c2=O)cc1OC.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is DKNLKQBOOWSMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O4/c1-31-20-9-8-16(14-21(20)32-2)10-12-27-23(29)19-7-4-11-26-22(19)28(24(27)30)15-17-5-3-6-18(25)13-17/h3-9,11,13-14H,10,12,15H2,1-2H3.
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 435.46 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 20879791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).