8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one

C24H19F3N4O2 — CID 59639568

IUPAC8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(F)ccc1-c1nc(NC2CCOC2)nc2c1ccc(=O)n2-c1c(F)cccc1F
InChIInChI=1S/C24H19F3N4O2/c1-13-11-14(25)5-6-16(13)21-17-7-8-20(32)31(22-18(26)3-2-4-19(22)27)23(17)30-24(29-21)28-15-9-10-33-12-15/h2-8,11,15H,9-10,12H2,1H3,(H,28,29,30)
InChIKeyKZJMSQZVISQWNB-UHFFFAOYSA-N
MW452.44 g/mol
LogP4.37
Rot. Bonds4

About 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one

8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 59639568) has the molecular formula C24H19F3N4O2 and a molecular weight of 452.44 g/mol. Its IUPAC name is 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID59639568
Molecular FormulaC24H19F3N4O2
Molecular Weight452.44 g/mol
Exact Mass452.15
IUPAC Name8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(F)ccc1-c1nc(NC2CCOC2)nc2c1ccc(=O)n2-c1c(F)cccc1F
InChIInChI=1S/C24H19F3N4O2/c1-13-11-14(25)5-6-16(13)21-17-7-8-20(32)31(22-18(26)3-2-4-19(22)27)23(17)30-24(29-21)28-15-9-10-33-12-15/h2-8,11,15H,9-10,12H2,1H3,(H,28,29,30)
InChIKeyKZJMSQZVISQWNB-UHFFFAOYSA-N
XLogP4.37
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 59639568) is 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one is Cc1cc(F)ccc1-c1nc(NC2CCOC2)nc2c1ccc(=O)n2-c1c(F)cccc1F.
What is the InChIKey of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is KZJMSQZVISQWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O2/c1-13-11-14(25)5-6-16(13)21-17-7-8-20(32)31(22-18(26)3-2-4-19(22)27)23(17)30-24(29-21)28-15-9-10-33-12-15/h2-8,11,15H,9-10,12H2,1H3,(H,28,29,30).
What are the key properties of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one?
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 452.44 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59639568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).