8-methyl-6-[2-methyl-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one

C23H21F3N6O3 — CID 59128650

IUPAC8-methyl-6-[2-methyl-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1ccc(-c2nnc(C(F)(F)F)o2)cc1-c1cc2cnc(NC3CCOCC3)nc2n(C)c1=O
InChIInChI=1S/C23H21F3N6O3/c1-12-3-4-13(19-30-31-21(35-19)23(24,25)26)9-16(12)17-10-14-11-27-22(28-15-5-7-34-8-6-15)29-18(14)32(2)20(17)33/h3-4,9-11,15H,5-8H2,1-2H3,(H,27,28,29)
InChIKeyWGVPZKMTLFBCSJ-UHFFFAOYSA-N
MW486.45 g/mol
LogP3.96
Rot. Bonds4

About 8-methyl-6-[2-methyl-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one

8-methyl-6-[2-methyl-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 59128650) has the molecular formula C23H21F3N6O3 and a molecular weight of 486.45 g/mol. Its IUPAC name is 8-methyl-6-[2-methyl-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-methyl-6-[2-methyl-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID59128650
Molecular FormulaC23H21F3N6O3
Molecular Weight486.45 g/mol
Exact Mass486.16
IUPAC Name8-methyl-6-[2-methyl-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1ccc(-c2nnc(C(F)(F)F)o2)cc1-c1cc2cnc(NC3CCOCC3)nc2n(C)c1=O
InChIInChI=1S/C23H21F3N6O3/c1-12-3-4-13(19-30-31-21(35-19)23(24,25)26)9-16(12)17-10-14-11-27-22(28-15-5-7-34-8-6-15)29-18(14)32(2)20(17)33/h3-4,9-11,15H,5-8H2,1-2H3,(H,27,28,29)
InChIKeyWGVPZKMTLFBCSJ-UHFFFAOYSA-N
XLogP3.96
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 8-methyl-6-[2-methyl-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-[2-methyl-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-methyl-6-[2-methyl-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 59128650) is 8-methyl-6-[2-methyl-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-methyl-6-[2-methyl-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-methyl-6-[2-methyl-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is Cc1ccc(-c2nnc(C(F)(F)F)o2)cc1-c1cc2cnc(NC3CCOCC3)nc2n(C)c1=O.
What is the InChIKey of 8-methyl-6-[2-methyl-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is WGVPZKMTLFBCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O3/c1-12-3-4-13(19-30-31-21(35-19)23(24,25)26)9-16(12)17-10-14-11-27-22(28-15-5-7-34-8-6-15)29-18(14)32(2)20(17)33/h3-4,9-11,15H,5-8H2,1-2H3,(H,27,28,29).
What are the key properties of 8-methyl-6-[2-methyl-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
8-methyl-6-[2-methyl-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 486.45 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-[2-methyl-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59128650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).