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

C26H30N6O3 — CID 25016227

IUPAC8-methyl-6-[2-methyl-5-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1ccc(-c2nnc(CC(C)C)o2)cc1-c1cc2cnc(NC3CCOCC3)nc2n(C)c1=O
InChIInChI=1S/C26H30N6O3/c1-15(2)11-22-30-31-24(35-22)17-6-5-16(3)20(12-17)21-13-18-14-27-26(28-19-7-9-34-10-8-19)29-23(18)32(4)25(21)33/h5-6,12-15,19H,7-11H2,1-4H3,(H,27,28,29)
InChIKeyDVQYBNHXBXDPIR-UHFFFAOYSA-N
MW474.57 g/mol
LogP4.14
Rot. Bonds6

About 8-methyl-6-[2-methyl-5-[5-(2-methylpropyl)-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-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 25016227) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is 8-methyl-6-[2-methyl-5-[5-(2-methylpropyl)-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-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID25016227
Molecular FormulaC26H30N6O3
Molecular Weight474.57 g/mol
Exact Mass474.24
IUPAC Name8-methyl-6-[2-methyl-5-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1ccc(-c2nnc(CC(C)C)o2)cc1-c1cc2cnc(NC3CCOCC3)nc2n(C)c1=O
InChIInChI=1S/C26H30N6O3/c1-15(2)11-22-30-31-24(35-22)17-6-5-16(3)20(12-17)21-13-18-14-27-26(28-19-7-9-34-10-8-19)29-23(18)32(4)25(21)33/h5-6,12-15,19H,7-11H2,1-4H3,(H,27,28,29)
InChIKeyDVQYBNHXBXDPIR-UHFFFAOYSA-N
XLogP4.14
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 8-methyl-6-[2-methyl-5-[5-(2-methylpropyl)-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-(2-methylpropyl)-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-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 25016227) is 8-methyl-6-[2-methyl-5-[5-(2-methylpropyl)-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-(2-methylpropyl)-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-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is Cc1ccc(-c2nnc(CC(C)C)o2)cc1-c1cc2cnc(NC3CCOCC3)nc2n(C)c1=O.
What is the InChIKey of 8-methyl-6-[2-methyl-5-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DVQYBNHXBXDPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3/c1-15(2)11-22-30-31-24(35-22)17-6-5-16(3)20(12-17)21-13-18-14-27-26(28-19-7-9-34-10-8-19)29-23(18)32(4)25(21)33/h5-6,12-15,19H,7-11H2,1-4H3,(H,27,28,29).
What are the key properties of 8-methyl-6-[2-methyl-5-[5-(2-methylpropyl)-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-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 474.57 g/mol, XLogP of 4.14, 6 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-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 25016227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).