4-(4-fluoro-2-methylphenyl)-2-methoxy-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one

C20H22FN3O2 — CID 59639643

IUPAC4-(4-fluoro-2-methylphenyl)-2-methoxy-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCCC(CC)n1c(=O)ccc2c(-c3ccc(F)cc3C)nc(OC)nc21
InChIInChI=1S/C20H22FN3O2/c1-5-14(6-2)24-17(25)10-9-16-18(22-20(26-4)23-19(16)24)15-8-7-13(21)11-12(15)3/h7-11,14H,5-6H2,1-4H3
InChIKeyBQEMGULKGGYZCG-UHFFFAOYSA-N
MW355.41 g/mol
LogP4.28
Rot. Bonds5

About 4-(4-fluoro-2-methylphenyl)-2-methoxy-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one

4-(4-fluoro-2-methylphenyl)-2-methoxy-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 59639643) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylphenyl)-2-methoxy-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-(4-fluoro-2-methylphenyl)-2-methoxy-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID59639643
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name4-(4-fluoro-2-methylphenyl)-2-methoxy-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCCC(CC)n1c(=O)ccc2c(-c3ccc(F)cc3C)nc(OC)nc21
InChIInChI=1S/C20H22FN3O2/c1-5-14(6-2)24-17(25)10-9-16-18(22-20(26-4)23-19(16)24)15-8-7-13(21)11-12(15)3/h7-11,14H,5-6H2,1-4H3
InChIKeyBQEMGULKGGYZCG-UHFFFAOYSA-N
XLogP4.28
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methylphenyl)-2-methoxy-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-(4-fluoro-2-methylphenyl)-2-methoxy-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one (CID 59639643) is 4-(4-fluoro-2-methylphenyl)-2-methoxy-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-(4-fluoro-2-methylphenyl)-2-methoxy-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-(4-fluoro-2-methylphenyl)-2-methoxy-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one is CCC(CC)n1c(=O)ccc2c(-c3ccc(F)cc3C)nc(OC)nc21.
What is the InChIKey of 4-(4-fluoro-2-methylphenyl)-2-methoxy-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is BQEMGULKGGYZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-5-14(6-2)24-17(25)10-9-16-18(22-20(26-4)23-19(16)24)15-8-7-13(21)11-12(15)3/h7-11,14H,5-6H2,1-4H3.
What are the key properties of 4-(4-fluoro-2-methylphenyl)-2-methoxy-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one?
4-(4-fluoro-2-methylphenyl)-2-methoxy-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 355.41 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methylphenyl)-2-methoxy-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59639643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).