4-(4-fluoro-2-methylphenyl)-2-[2-hydroxyethyl(hydroxymethyl)amino]-8-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one

C24H23FN4O3 — CID 69374353

IUPAC4-(4-fluoro-2-methylphenyl)-2-[2-hydroxyethyl(hydroxymethyl)amino]-8-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(F)ccc1-c1nc(N(CO)CCO)nc2c1ccc(=O)n2-c1ccccc1C
InChIInChI=1S/C24H23FN4O3/c1-15-5-3-4-6-20(15)29-21(32)10-9-19-22(18-8-7-17(25)13-16(18)2)26-24(27-23(19)29)28(14-31)11-12-30/h3-10,13,30-31H,11-12,14H2,1-2H3
InChIKeyHVXAGJILCFZQQZ-UHFFFAOYSA-N
MW434.47 g/mol
LogP2.95
Rot. Bonds6

About 4-(4-fluoro-2-methylphenyl)-2-[2-hydroxyethyl(hydroxymethyl)amino]-8-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one

4-(4-fluoro-2-methylphenyl)-2-[2-hydroxyethyl(hydroxymethyl)amino]-8-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 69374353) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylphenyl)-2-[2-hydroxyethyl(hydroxymethyl)amino]-8-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-(4-fluoro-2-methylphenyl)-2-[2-hydroxyethyl(hydroxymethyl)amino]-8-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID69374353
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC Name4-(4-fluoro-2-methylphenyl)-2-[2-hydroxyethyl(hydroxymethyl)amino]-8-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(F)ccc1-c1nc(N(CO)CCO)nc2c1ccc(=O)n2-c1ccccc1C
InChIInChI=1S/C24H23FN4O3/c1-15-5-3-4-6-20(15)29-21(32)10-9-19-22(18-8-7-17(25)13-16(18)2)26-24(27-23(19)29)28(14-31)11-12-30/h3-10,13,30-31H,11-12,14H2,1-2H3
InChIKeyHVXAGJILCFZQQZ-UHFFFAOYSA-N
XLogP2.95
TPSA91.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methylphenyl)-2-[2-hydroxyethyl(hydroxymethyl)amino]-8-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-(4-fluoro-2-methylphenyl)-2-[2-hydroxyethyl(hydroxymethyl)amino]-8-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one (CID 69374353) is 4-(4-fluoro-2-methylphenyl)-2-[2-hydroxyethyl(hydroxymethyl)amino]-8-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-(4-fluoro-2-methylphenyl)-2-[2-hydroxyethyl(hydroxymethyl)amino]-8-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-(4-fluoro-2-methylphenyl)-2-[2-hydroxyethyl(hydroxymethyl)amino]-8-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one is Cc1cc(F)ccc1-c1nc(N(CO)CCO)nc2c1ccc(=O)n2-c1ccccc1C.
What is the InChIKey of 4-(4-fluoro-2-methylphenyl)-2-[2-hydroxyethyl(hydroxymethyl)amino]-8-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HVXAGJILCFZQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3/c1-15-5-3-4-6-20(15)29-21(32)10-9-19-22(18-8-7-17(25)13-16(18)2)26-24(27-23(19)29)28(14-31)11-12-30/h3-10,13,30-31H,11-12,14H2,1-2H3.
What are the key properties of 4-(4-fluoro-2-methylphenyl)-2-[2-hydroxyethyl(hydroxymethyl)amino]-8-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one?
4-(4-fluoro-2-methylphenyl)-2-[2-hydroxyethyl(hydroxymethyl)amino]-8-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 434.47 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methylphenyl)-2-[2-hydroxyethyl(hydroxymethyl)amino]-8-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 69374353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).