3-[3-[6-[2-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one

C25H23N7O4 — CID 177263081

About 3-[3-[6-[2-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one

3-[3-[6-[2-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 177263081) has the molecular formula C25H23N7O4 and a molecular weight of 485.50 g/mol. Its IUPAC name is 3-[3-[6-[2-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

• Compound Name: 3-[3-[6-[2-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
• PubChem CID: 177263081
• Molecular Formula: C25H23N7O4
• Molecular Weight: 485.50 g/mol
• Exact Mass: 485.18
• IUPAC Name: 3-[3-[6-[2-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
• SMILES: CN1CCC(O)(c2cc(-c3cccc(-c4ccnc(Nc5cnc6c(c5)COCC6)n4)n3)no2)C1=O
• InChI: InChI=1S/C25H23N7O4/c1-32-9-7-25(34,23(32)33)22-12-21(31-36-22)19-4-2-3-18(29-19)20-5-8-26-24(30-20)28-16-11-15-14-35-10-6-17(15)27-13-16/h2-5,8,11-13,34H,6-7,9-10,14H2,1H3,(H,26,28,30)
• InChIKey: WLMOGDBZYHHPBQ-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 139.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.50
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[3-[6-[2-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one?

The IUPAC name of 3-[3-[6-[2-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one (CID 177263081) is 3-[3-[6-[2-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one.

What is the SMILES notation for 3-[3-[6-[2-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one?

The canonical SMILES for 3-[3-[6-[2-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one is CN1CCC(O)(c2cc(-c3cccc(-c4ccnc(Nc5cnc6c(c5)COCC6)n4)n3)no2)C1=O.

What is the InChIKey of 3-[3-[6-[2-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one?

The InChIKey is WLMOGDBZYHHPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O4/c1-32-9-7-25(34,23(32)33)22-12-21(31-36-22)19-4-2-3-18(29-19)20-5-8-26-24(30-20)28-16-11-15-14-35-10-6-17(15)27-13-16/h2-5,8,11-13,34H,6-7,9-10,14H2,1H3,(H,26,28,30).

What are the key properties of 3-[3-[6-[2-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one?

3-[3-[6-[2-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 485.50 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[6-[2-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 177263081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).