2-[(3-fluorophenyl)methyl]-6-[2-(4-methoxyphenyl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C23H22FN3O3 — CID 135619409

IUPAC2-[(3-fluorophenyl)methyl]-6-[2-(4-methoxyphenyl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccc(CC(=O)N2CCc3nc(Cc4cccc(F)c4)[nH]c(=O)c3C2)cc1
InChIInChI=1S/C23H22FN3O3/c1-30-18-7-5-15(6-8-18)13-22(28)27-10-9-20-19(14-27)23(29)26-21(25-20)12-16-3-2-4-17(24)11-16/h2-8,11H,9-10,12-14H2,1H3,(H,25,26,29)
InChIKeyFUWPCERPTLZTBX-UHFFFAOYSA-N
MW407.45 g/mol
LogP2.64
Rot. Bonds5

About 2-[(3-fluorophenyl)methyl]-6-[2-(4-methoxyphenyl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-[(3-fluorophenyl)methyl]-6-[2-(4-methoxyphenyl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135619409) has the molecular formula C23H22FN3O3 and a molecular weight of 407.45 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-6-[2-(4-methoxyphenyl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-6-[2-(4-methoxyphenyl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135619409
Molecular FormulaC23H22FN3O3
Molecular Weight407.45 g/mol
Exact Mass407.16
IUPAC Name2-[(3-fluorophenyl)methyl]-6-[2-(4-methoxyphenyl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccc(CC(=O)N2CCc3nc(Cc4cccc(F)c4)[nH]c(=O)c3C2)cc1
InChIInChI=1S/C23H22FN3O3/c1-30-18-7-5-15(6-8-18)13-22(28)27-10-9-20-19(14-27)23(29)26-21(25-20)12-16-3-2-4-17(24)11-16/h2-8,11H,9-10,12-14H2,1H3,(H,25,26,29)
InChIKeyFUWPCERPTLZTBX-UHFFFAOYSA-N
XLogP2.64
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-6-[2-(4-methoxyphenyl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-6-[2-(4-methoxyphenyl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135619409) is 2-[(3-fluorophenyl)methyl]-6-[2-(4-methoxyphenyl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-6-[2-(4-methoxyphenyl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-6-[2-(4-methoxyphenyl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is COc1ccc(CC(=O)N2CCc3nc(Cc4cccc(F)c4)[nH]c(=O)c3C2)cc1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-6-[2-(4-methoxyphenyl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is FUWPCERPTLZTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3/c1-30-18-7-5-15(6-8-18)13-22(28)27-10-9-20-19(14-27)23(29)26-21(25-20)12-16-3-2-4-17(24)11-16/h2-8,11H,9-10,12-14H2,1H3,(H,25,26,29).
What are the key properties of 2-[(3-fluorophenyl)methyl]-6-[2-(4-methoxyphenyl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-[(3-fluorophenyl)methyl]-6-[2-(4-methoxyphenyl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 407.45 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-6-[2-(4-methoxyphenyl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135619409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).