N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-6-(4-methoxypyrimidin-5-yl)triazolo[1,5-a]pyridine-3-carboxamide

C25H27N9O3 — CID 170633644

About N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-6-(4-methoxypyrimidin-5-yl)triazolo[1,5-a]pyridine-3-carboxamide

N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-6-(4-methoxypyrimidin-5-yl)triazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 170633644) has the molecular formula C25H27N9O3 and a molecular weight of 501.55 g/mol. Its IUPAC name is N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-6-(4-methoxypyrimidin-5-yl)triazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-6-(4-methoxypyrimidin-5-yl)triazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 170633644
• Molecular Formula: C25H27N9O3
• Molecular Weight: 501.55 g/mol
• Exact Mass: 501.22
• IUPAC Name: N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-6-(4-methoxypyrimidin-5-yl)triazolo[1,5-a]pyridine-3-carboxamide
• SMILES: COc1ncncc1-c1ccc2c(C(=O)Nc3cc(NC(=O)CN4CC(C)(C)C4)cnc3C)nnn2c1
• InChI: InChI=1S/C25H27N9O3/c1-15-19(7-17(8-27-15)29-21(35)11-33-12-25(2,3)13-33)30-23(36)22-20-6-5-16(10-34(20)32-31-22)18-9-26-14-28-24(18)37-4/h5-10,14H,11-13H2,1-4H3,(H,29,35)(H,30,36)
• InChIKey: WZLPVCBUZDWXNU-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 139.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.55
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-6-(4-methoxypyrimidin-5-yl)triazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-6-(4-methoxypyrimidin-5-yl)triazolo[1,5-a]pyridine-3-carboxamide (CID 170633644) is N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-6-(4-methoxypyrimidin-5-yl)triazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-6-(4-methoxypyrimidin-5-yl)triazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-6-(4-methoxypyrimidin-5-yl)triazolo[1,5-a]pyridine-3-carboxamide is COc1ncncc1-c1ccc2c(C(=O)Nc3cc(NC(=O)CN4CC(C)(C)C4)cnc3C)nnn2c1.

What is the InChIKey of N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-6-(4-methoxypyrimidin-5-yl)triazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is WZLPVCBUZDWXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N9O3/c1-15-19(7-17(8-27-15)29-21(35)11-33-12-25(2,3)13-33)30-23(36)22-20-6-5-16(10-34(20)32-31-22)18-9-26-14-28-24(18)37-4/h5-10,14H,11-13H2,1-4H3,(H,29,35)(H,30,36).

What are the key properties of N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-6-(4-methoxypyrimidin-5-yl)triazolo[1,5-a]pyridine-3-carboxamide?

N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-6-(4-methoxypyrimidin-5-yl)triazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 501.55 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-6-(4-methoxypyrimidin-5-yl)triazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 170633644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).