N-[(5,6-dimethoxy-3-methyl-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C26H23N5O4S — CID 71519589

About N-[(5,6-dimethoxy-3-methyl-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[(5,6-dimethoxy-3-methyl-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 71519589) has the molecular formula C26H23N5O4S and a molecular weight of 501.57 g/mol. Its IUPAC name is N-[(5,6-dimethoxy-3-methyl-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(5,6-dimethoxy-3-methyl-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 71519589
• Molecular Formula: C26H23N5O4S
• Molecular Weight: 501.57 g/mol
• Exact Mass: 501.15
• IUPAC Name: N-[(5,6-dimethoxy-3-methyl-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: COc1cc(C)c(CNC(=O)c2cc(-c3cncc(C)c3)nc3onc(-c4cccs4)c23)nc1OC
• InChI: InChI=1S/C26H23N5O4S/c1-14-8-16(12-27-11-14)18-10-17(22-23(21-6-5-7-36-21)31-35-26(22)29-18)24(32)28-13-19-15(2)9-20(33-3)25(30-19)34-4/h5-12H,13H2,1-4H3,(H,28,32)
• InChIKey: GDSCVDPVLSCSCV-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 112.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.57
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethoxy-3-methyl-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[(5,6-dimethoxy-3-methyl-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 71519589) is N-[(5,6-dimethoxy-3-methyl-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[(5,6-dimethoxy-3-methyl-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[(5,6-dimethoxy-3-methyl-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COc1cc(C)c(CNC(=O)c2cc(-c3cncc(C)c3)nc3onc(-c4cccs4)c23)nc1OC.

What is the InChIKey of N-[(5,6-dimethoxy-3-methyl-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is GDSCVDPVLSCSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O4S/c1-14-8-16(12-27-11-14)18-10-17(22-23(21-6-5-7-36-21)31-35-26(22)29-18)24(32)28-13-19-15(2)9-20(33-3)25(30-19)34-4/h5-12H,13H2,1-4H3,(H,28,32).

What are the key properties of N-[(5,6-dimethoxy-3-methyl-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

N-[(5,6-dimethoxy-3-methyl-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 501.57 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5,6-dimethoxy-3-methyl-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 71519589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).