5-(4-chloro-2-fluorophenyl)-7-(2-ethylmorpholin-4-yl)-2-methyl-3-propylpyrido[4,3-d]pyrimidin-4-one

C23H26ClFN4O2 — CID 166830483

IUPAC5-(4-chloro-2-fluorophenyl)-7-(2-ethylmorpholin-4-yl)-2-methyl-3-propylpyrido[4,3-d]pyrimidin-4-one
SMILESCCCn1c(C)nc2cc(N3CCOC(CC)C3)nc(-c3ccc(Cl)cc3F)c2c1=O
InChIInChI=1S/C23H26ClFN4O2/c1-4-8-29-14(3)26-19-12-20(28-9-10-31-16(5-2)13-28)27-22(21(19)23(29)30)17-7-6-15(24)11-18(17)25/h6-7,11-12,16H,4-5,8-10,13H2,1-3H3
InChIKeyGZSLHUCWZREFEL-UHFFFAOYSA-N
MW444.94 g/mol
LogP4.58
Rot. Bonds5

About 5-(4-chloro-2-fluorophenyl)-7-(2-ethylmorpholin-4-yl)-2-methyl-3-propylpyrido[4,3-d]pyrimidin-4-one

5-(4-chloro-2-fluorophenyl)-7-(2-ethylmorpholin-4-yl)-2-methyl-3-propylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 166830483) has the molecular formula C23H26ClFN4O2 and a molecular weight of 444.94 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)-7-(2-ethylmorpholin-4-yl)-2-methyl-3-propylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenyl)-7-(2-ethylmorpholin-4-yl)-2-methyl-3-propylpyrido[4,3-d]pyrimidin-4-one
PubChem CID166830483
Molecular FormulaC23H26ClFN4O2
Molecular Weight444.94 g/mol
Exact Mass444.17
IUPAC Name5-(4-chloro-2-fluorophenyl)-7-(2-ethylmorpholin-4-yl)-2-methyl-3-propylpyrido[4,3-d]pyrimidin-4-one
SMILESCCCn1c(C)nc2cc(N3CCOC(CC)C3)nc(-c3ccc(Cl)cc3F)c2c1=O
InChIInChI=1S/C23H26ClFN4O2/c1-4-8-29-14(3)26-19-12-20(28-9-10-31-16(5-2)13-28)27-22(21(19)23(29)30)17-7-6-15(24)11-18(17)25/h6-7,11-12,16H,4-5,8-10,13H2,1-3H3
InChIKeyGZSLHUCWZREFEL-UHFFFAOYSA-N
XLogP4.58
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluorophenyl)-7-(2-ethylmorpholin-4-yl)-2-methyl-3-propylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-chloro-2-fluorophenyl)-7-(2-ethylmorpholin-4-yl)-2-methyl-3-propylpyrido[4,3-d]pyrimidin-4-one (CID 166830483) is 5-(4-chloro-2-fluorophenyl)-7-(2-ethylmorpholin-4-yl)-2-methyl-3-propylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-chloro-2-fluorophenyl)-7-(2-ethylmorpholin-4-yl)-2-methyl-3-propylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-chloro-2-fluorophenyl)-7-(2-ethylmorpholin-4-yl)-2-methyl-3-propylpyrido[4,3-d]pyrimidin-4-one is CCCn1c(C)nc2cc(N3CCOC(CC)C3)nc(-c3ccc(Cl)cc3F)c2c1=O.
What is the InChIKey of 5-(4-chloro-2-fluorophenyl)-7-(2-ethylmorpholin-4-yl)-2-methyl-3-propylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is GZSLHUCWZREFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN4O2/c1-4-8-29-14(3)26-19-12-20(28-9-10-31-16(5-2)13-28)27-22(21(19)23(29)30)17-7-6-15(24)11-18(17)25/h6-7,11-12,16H,4-5,8-10,13H2,1-3H3.
What are the key properties of 5-(4-chloro-2-fluorophenyl)-7-(2-ethylmorpholin-4-yl)-2-methyl-3-propylpyrido[4,3-d]pyrimidin-4-one?
5-(4-chloro-2-fluorophenyl)-7-(2-ethylmorpholin-4-yl)-2-methyl-3-propylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 444.94 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluorophenyl)-7-(2-ethylmorpholin-4-yl)-2-methyl-3-propylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 166830483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).