8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-(4-methoxy-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one

C24H21F2N3O4 — CID 156805163

IUPAC8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-(4-methoxy-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCCOc1ncc2cc(-c3ccc(OC)cc3C)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1
InChIInChI=1S/C24H21F2N3O4/c1-4-32-24-27-13-15-12-20(19-10-9-18(31-3)11-14(19)2)22(30)29(21(15)28-24)16-5-7-17(8-6-16)33-23(25)26/h5-13,23H,4H2,1-3H3
InChIKeySMMRCJGCUYDFOL-UHFFFAOYSA-N
MW453.45 g/mol
LogP4.76
Rot. Bonds7

About 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-(4-methoxy-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one

8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-(4-methoxy-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 156805163) has the molecular formula C24H21F2N3O4 and a molecular weight of 453.45 g/mol. Its IUPAC name is 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-(4-methoxy-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-(4-methoxy-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID156805163
Molecular FormulaC24H21F2N3O4
Molecular Weight453.45 g/mol
Exact Mass453.15
IUPAC Name8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-(4-methoxy-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCCOc1ncc2cc(-c3ccc(OC)cc3C)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1
InChIInChI=1S/C24H21F2N3O4/c1-4-32-24-27-13-15-12-20(19-10-9-18(31-3)11-14(19)2)22(30)29(21(15)28-24)16-5-7-17(8-6-16)33-23(25)26/h5-13,23H,4H2,1-3H3
InChIKeySMMRCJGCUYDFOL-UHFFFAOYSA-N
XLogP4.76
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-(4-methoxy-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-(4-methoxy-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one (CID 156805163) is 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-(4-methoxy-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-(4-methoxy-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-(4-methoxy-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one is CCOc1ncc2cc(-c3ccc(OC)cc3C)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1.
What is the InChIKey of 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-(4-methoxy-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SMMRCJGCUYDFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O4/c1-4-32-24-27-13-15-12-20(19-10-9-18(31-3)11-14(19)2)22(30)29(21(15)28-24)16-5-7-17(8-6-16)33-23(25)26/h5-13,23H,4H2,1-3H3.
What are the key properties of 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-(4-methoxy-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one?
8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-(4-methoxy-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 453.45 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-(4-methoxy-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 156805163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).