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

C24H20N6O2 — CID 25016228

IUPAC2-anilino-8-methyl-6-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nnc(-c2ccc(C)c(-c3cc4cnc(Nc5ccccc5)nc4n(C)c3=O)c2)o1
InChIInChI=1S/C24H20N6O2/c1-14-9-10-16(22-29-28-15(2)32-22)11-19(14)20-12-17-13-25-24(26-18-7-5-4-6-8-18)27-21(17)30(3)23(20)31/h4-13H,1-3H3,(H,25,26,27)
InChIKeyUABVNRREHUDFAE-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.41
Rot. Bonds4

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

2-anilino-8-methyl-6-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 25016228) has the molecular formula C24H20N6O2 and a molecular weight of 424.46 g/mol. Its IUPAC name is 2-anilino-8-methyl-6-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-8-methyl-6-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID25016228
Molecular FormulaC24H20N6O2
Molecular Weight424.46 g/mol
Exact Mass424.16
IUPAC Name2-anilino-8-methyl-6-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nnc(-c2ccc(C)c(-c3cc4cnc(Nc5ccccc5)nc4n(C)c3=O)c2)o1
InChIInChI=1S/C24H20N6O2/c1-14-9-10-16(22-29-28-15(2)32-22)11-19(14)20-12-17-13-25-24(26-18-7-5-4-6-8-18)27-21(17)30(3)23(20)31/h4-13H,1-3H3,(H,25,26,27)
InChIKeyUABVNRREHUDFAE-UHFFFAOYSA-N
XLogP4.41
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-methyl-6-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-8-methyl-6-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one (CID 25016228) is 2-anilino-8-methyl-6-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-8-methyl-6-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-8-methyl-6-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one is Cc1nnc(-c2ccc(C)c(-c3cc4cnc(Nc5ccccc5)nc4n(C)c3=O)c2)o1.
What is the InChIKey of 2-anilino-8-methyl-6-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is UABVNRREHUDFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2/c1-14-9-10-16(22-29-28-15(2)32-22)11-19(14)20-12-17-13-25-24(26-18-7-5-4-6-8-18)27-21(17)30(3)23(20)31/h4-13H,1-3H3,(H,25,26,27).
What are the key properties of 2-anilino-8-methyl-6-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
2-anilino-8-methyl-6-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 424.46 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-methyl-6-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 25016228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).