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

C30H28ClN7O4 — CID 147732757

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

6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(oxan-4-ylamino)-8-(2-oxo-4-pyridin-4-ylbutyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 147732757) has the molecular formula C30H28ClN7O4 and a molecular weight of 586.05 g/mol. Its IUPAC name is 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(oxan-4-ylamino)-8-(2-oxo-4-pyridin-4-ylbutyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(oxan-4-ylamino)-8-(2-oxo-4-pyridin-4-ylbutyl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 147732757
• Molecular Formula: C30H28ClN7O4
• Molecular Weight: 586.05 g/mol
• Exact Mass: 585.19
• IUPAC Name: 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(oxan-4-ylamino)-8-(2-oxo-4-pyridin-4-ylbutyl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: Cc1nc(-c2ccc(-c3cc4cnc(NC5CCOCC5)nc4n(CC(=O)CCc4ccncc4)c3=O)c(Cl)c2)no1
• InChI: InChI=1S/C30H28ClN7O4/c1-18-34-27(37-42-18)20-3-5-24(26(31)15-20)25-14-21-16-33-30(35-22-8-12-41-13-9-22)36-28(21)38(29(25)40)17-23(39)4-2-19-6-10-32-11-7-19/h3,5-7,10-11,14-16,22H,2,4,8-9,12-13,17H2,1H3,(H,33,35,36)
• InChIKey: GYTKOPCIIMHCNZ-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 137.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.05
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(oxan-4-ylamino)-8-(2-oxo-4-pyridin-4-ylbutyl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(oxan-4-ylamino)-8-(2-oxo-4-pyridin-4-ylbutyl)pyrido[2,3-d]pyrimidin-7-one (CID 147732757) is 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(oxan-4-ylamino)-8-(2-oxo-4-pyridin-4-ylbutyl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(oxan-4-ylamino)-8-(2-oxo-4-pyridin-4-ylbutyl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(oxan-4-ylamino)-8-(2-oxo-4-pyridin-4-ylbutyl)pyrido[2,3-d]pyrimidin-7-one is Cc1nc(-c2ccc(-c3cc4cnc(NC5CCOCC5)nc4n(CC(=O)CCc4ccncc4)c3=O)c(Cl)c2)no1.

What is the InChIKey of 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(oxan-4-ylamino)-8-(2-oxo-4-pyridin-4-ylbutyl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is GYTKOPCIIMHCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClN7O4/c1-18-34-27(37-42-18)20-3-5-24(26(31)15-20)25-14-21-16-33-30(35-22-8-12-41-13-9-22)36-28(21)38(29(25)40)17-23(39)4-2-19-6-10-32-11-7-19/h3,5-7,10-11,14-16,22H,2,4,8-9,12-13,17H2,1H3,(H,33,35,36).

What are the key properties of 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(oxan-4-ylamino)-8-(2-oxo-4-pyridin-4-ylbutyl)pyrido[2,3-d]pyrimidin-7-one?

6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(oxan-4-ylamino)-8-(2-oxo-4-pyridin-4-ylbutyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 586.05 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(oxan-4-ylamino)-8-(2-oxo-4-pyridin-4-ylbutyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 147732757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).