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

C25H23F3N6O3 — CID 59128629

IUPAC8-cyclopropyl-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(C2CC2)c1=O
InChIInChI=1S/C25H23F3N6O3/c1-13-2-3-14(21-32-33-23(37-21)25(26,27)28)10-18(13)19-11-15-12-29-24(30-16-6-8-36-9-7-16)31-20(15)34(22(19)35)17-4-5-17/h2-3,10-12,16-17H,4-9H2,1H3,(H,29,30,31)
InChIKeyLSVTVSNATJIJHF-UHFFFAOYSA-N
MW512.49 g/mol
LogP4.76
Rot. Bonds5

About 8-cyclopropyl-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-cyclopropyl-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 59128629) has the molecular formula C25H23F3N6O3 and a molecular weight of 512.49 g/mol. Its IUPAC name is 8-cyclopropyl-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-cyclopropyl-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 CID59128629
Molecular FormulaC25H23F3N6O3
Molecular Weight512.49 g/mol
Exact Mass512.18
IUPAC Name8-cyclopropyl-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(C2CC2)c1=O
InChIInChI=1S/C25H23F3N6O3/c1-13-2-3-14(21-32-33-23(37-21)25(26,27)28)10-18(13)19-11-15-12-29-24(30-16-6-8-36-9-7-16)31-20(15)34(22(19)35)17-4-5-17/h2-3,10-12,16-17H,4-9H2,1H3,(H,29,30,31)
InChIKeyLSVTVSNATJIJHF-UHFFFAOYSA-N
XLogP4.76
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.49
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 8-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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 59128629) is 8-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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(C2CC2)c1=O.
What is the InChIKey of 8-cyclopropyl-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 LSVTVSNATJIJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O3/c1-13-2-3-14(21-32-33-23(37-21)25(26,27)28)10-18(13)19-11-15-12-29-24(30-16-6-8-36-9-7-16)31-20(15)34(22(19)35)17-4-5-17/h2-3,10-12,16-17H,4-9H2,1H3,(H,29,30,31).
What are the key properties of 8-cyclopropyl-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-cyclopropyl-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 512.49 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-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 59128629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).