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

C25H26N6O3 — CID 25016489

IUPAC8-cyclopropyl-6-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nnc(-c2ccc(C)c(-c3cc4cnc(NC5CCOCC5)nc4n(C4CC4)c3=O)c2)o1
InChIInChI=1S/C25H26N6O3/c1-14-3-4-16(23-30-29-15(2)34-23)11-20(14)21-12-17-13-26-25(27-18-7-9-33-10-8-18)28-22(17)31(24(21)32)19-5-6-19/h3-4,11-13,18-19H,5-10H2,1-2H3,(H,26,27,28)
InChIKeyVJNKPEXZZYARBV-UHFFFAOYSA-N
MW458.52 g/mol
LogP4.05
Rot. Bonds5

About 8-cyclopropyl-6-[2-methyl-5-(5-methyl-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-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 25016489) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is 8-cyclopropyl-6-[2-methyl-5-(5-methyl-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-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID25016489
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC Name8-cyclopropyl-6-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nnc(-c2ccc(C)c(-c3cc4cnc(NC5CCOCC5)nc4n(C4CC4)c3=O)c2)o1
InChIInChI=1S/C25H26N6O3/c1-14-3-4-16(23-30-29-15(2)34-23)11-20(14)21-12-17-13-26-25(27-18-7-9-33-10-8-18)28-22(17)31(24(21)32)19-5-6-19/h3-4,11-13,18-19H,5-10H2,1-2H3,(H,26,27,28)
InChIKeyVJNKPEXZZYARBV-UHFFFAOYSA-N
XLogP4.05
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-6-[2-methyl-5-(5-methyl-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-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 25016489) is 8-cyclopropyl-6-[2-methyl-5-(5-methyl-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-methyl-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-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is Cc1nnc(-c2ccc(C)c(-c3cc4cnc(NC5CCOCC5)nc4n(C4CC4)c3=O)c2)o1.
What is the InChIKey of 8-cyclopropyl-6-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is VJNKPEXZZYARBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-14-3-4-16(23-30-29-15(2)34-23)11-20(14)21-12-17-13-26-25(27-18-7-9-33-10-8-18)28-22(17)31(24(21)32)19-5-6-19/h3-4,11-13,18-19H,5-10H2,1-2H3,(H,26,27,28).
What are the key properties of 8-cyclopropyl-6-[2-methyl-5-(5-methyl-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-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 458.52 g/mol, XLogP of 4.05, 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-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 25016489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).