6-[(4-fluorophenyl)methyl]-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one

C23H21FN4O2 — CID 20626986

IUPAC6-[(4-fluorophenyl)methyl]-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(Cc2ccc(F)cc2)cc2cnc(Nc3ccc(CCO)cc3)nc21
InChIInChI=1S/C23H21FN4O2/c1-28-21-18(13-17(22(28)30)12-16-2-6-19(24)7-3-16)14-25-23(27-21)26-20-8-4-15(5-9-20)10-11-29/h2-9,13-14,29H,10-12H2,1H3,(H,25,26,27)
InChIKeyMMDRXMJAWZQYNQ-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.34
Rot. Bonds6

About 6-[(4-fluorophenyl)methyl]-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one

6-[(4-fluorophenyl)methyl]-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 20626986) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID20626986
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name6-[(4-fluorophenyl)methyl]-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(Cc2ccc(F)cc2)cc2cnc(Nc3ccc(CCO)cc3)nc21
InChIInChI=1S/C23H21FN4O2/c1-28-21-18(13-17(22(28)30)12-16-2-6-19(24)7-3-16)14-25-23(27-21)26-20-8-4-15(5-9-20)10-11-29/h2-9,13-14,29H,10-12H2,1H3,(H,25,26,27)
InChIKeyMMDRXMJAWZQYNQ-UHFFFAOYSA-N
XLogP3.34
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 20626986) is 6-[(4-fluorophenyl)methyl]-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(Cc2ccc(F)cc2)cc2cnc(Nc3ccc(CCO)cc3)nc21.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is MMDRXMJAWZQYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-28-21-18(13-17(22(28)30)12-16-2-6-19(24)7-3-16)14-25-23(27-21)26-20-8-4-15(5-9-20)10-11-29/h2-9,13-14,29H,10-12H2,1H3,(H,25,26,27).
What are the key properties of 6-[(4-fluorophenyl)methyl]-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
6-[(4-fluorophenyl)methyl]-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 404.45 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 20626986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).