8-[(4-fluorophenyl)methyl]-2-[1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C23H27FN4O3 — CID 110260892

IUPAC8-[(4-fluorophenyl)methyl]-2-[1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCCN2C(=O)C(C)(C)O)nc2c1CCC(=O)N2Cc1ccc(F)cc1
InChIInChI=1S/C23H27FN4O3/c1-14-17-10-11-19(29)28(13-15-6-8-16(24)9-7-15)21(17)26-20(25-14)18-5-4-12-27(18)22(30)23(2,3)31/h6-9,18,31H,4-5,10-13H2,1-3H3
InChIKeyPEJUNBUSTKQBPR-UHFFFAOYSA-N
MW426.49 g/mol
LogP2.84
Rot. Bonds4

About 8-[(4-fluorophenyl)methyl]-2-[1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

8-[(4-fluorophenyl)methyl]-2-[1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 110260892) has the molecular formula C23H27FN4O3 and a molecular weight of 426.49 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methyl]-2-[1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methyl]-2-[1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID110260892
Molecular FormulaC23H27FN4O3
Molecular Weight426.49 g/mol
Exact Mass426.21
IUPAC Name8-[(4-fluorophenyl)methyl]-2-[1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCCN2C(=O)C(C)(C)O)nc2c1CCC(=O)N2Cc1ccc(F)cc1
InChIInChI=1S/C23H27FN4O3/c1-14-17-10-11-19(29)28(13-15-6-8-16(24)9-7-15)21(17)26-20(25-14)18-5-4-12-27(18)22(30)23(2,3)31/h6-9,18,31H,4-5,10-13H2,1-3H3
InChIKeyPEJUNBUSTKQBPR-UHFFFAOYSA-N
XLogP2.84
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)methyl]-2-[1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[(4-fluorophenyl)methyl]-2-[1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 110260892) is 8-[(4-fluorophenyl)methyl]-2-[1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[(4-fluorophenyl)methyl]-2-[1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[(4-fluorophenyl)methyl]-2-[1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc(C2CCCN2C(=O)C(C)(C)O)nc2c1CCC(=O)N2Cc1ccc(F)cc1.
What is the InChIKey of 8-[(4-fluorophenyl)methyl]-2-[1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is PEJUNBUSTKQBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3/c1-14-17-10-11-19(29)28(13-15-6-8-16(24)9-7-15)21(17)26-20(25-14)18-5-4-12-27(18)22(30)23(2,3)31/h6-9,18,31H,4-5,10-13H2,1-3H3.
What are the key properties of 8-[(4-fluorophenyl)methyl]-2-[1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
8-[(4-fluorophenyl)methyl]-2-[1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 426.49 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)methyl]-2-[1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 110260892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).