[3-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-4-yl)methanone

C22H24N6O3 — CID 151803375

About [3-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-4-yl)methanone

[3-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-4-yl)methanone (PubChem CID 151803375) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is [3-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-4-yl)methanone.

Molecular Properties

• Compound Name: [3-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-4-yl)methanone
• PubChem CID: 151803375
• Molecular Formula: C22H24N6O3
• Molecular Weight: 420.47 g/mol
• Exact Mass: 420.19
• IUPAC Name: [3-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-4-yl)methanone
• SMILES: COc1ncc(N2CCc3nc(C4CCN(C(=O)c5cocn5)C4)ncc3C2)cc1C
• InChI: InChI=1S/C22H24N6O3/c1-14-7-17(9-24-21(14)30-2)27-6-4-18-16(11-27)8-23-20(26-18)15-3-5-28(10-15)22(29)19-12-31-13-25-19/h7-9,12-13,15H,3-6,10-11H2,1-2H3
• InChIKey: RZBVDKKTSNDRAZ-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 97.48 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.47
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [3-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-4-yl)methanone?

The IUPAC name of [3-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-4-yl)methanone (CID 151803375) is [3-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-4-yl)methanone.

What is the SMILES notation for [3-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-4-yl)methanone?

The canonical SMILES for [3-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-4-yl)methanone is COc1ncc(N2CCc3nc(C4CCN(C(=O)c5cocn5)C4)ncc3C2)cc1C.

What is the InChIKey of [3-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-4-yl)methanone?

The InChIKey is RZBVDKKTSNDRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-14-7-17(9-24-21(14)30-2)27-6-4-18-16(11-27)8-23-20(26-18)15-3-5-28(10-15)22(29)19-12-31-13-25-19/h7-9,12-13,15H,3-6,10-11H2,1-2H3.

What are the key properties of [3-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-4-yl)methanone?

[3-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-4-yl)methanone has a molecular weight of 420.47 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 151803375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).