tert-butyl 3-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]azetidine-1-carboxylate

C16H26N4O2 — CID 86817991

About tert-butyl 3-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]azetidine-1-carboxylate

tert-butyl 3-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]azetidine-1-carboxylate (PubChem CID 86817991) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl 3-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]azetidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 3-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]azetidine-1-carboxylate
• PubChem CID: 86817991
• Molecular Formula: C16H26N4O2
• Molecular Weight: 306.41 g/mol
• Exact Mass: 306.21
• IUPAC Name: tert-butyl 3-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]azetidine-1-carboxylate
• SMILES: Cc1cn2c(n1)CCC(NC1CN(C(=O)OC(C)(C)C)C1)C2
• InChI: InChI=1S/C16H26N4O2/c1-11-7-19-8-12(5-6-14(19)17-11)18-13-9-20(10-13)15(21)22-16(2,3)4/h7,12-13,18H,5-6,8-10H2,1-4H3
• InChIKey: XWOLXRHJFUBODL-UHFFFAOYSA-N
• XLogP: 1.72
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.41
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]azetidine-1-carboxylate?

The IUPAC name of tert-butyl 3-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]azetidine-1-carboxylate (CID 86817991) is tert-butyl 3-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]azetidine-1-carboxylate.

What is the SMILES notation for tert-butyl 3-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]azetidine-1-carboxylate?

The canonical SMILES for tert-butyl 3-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]azetidine-1-carboxylate is Cc1cn2c(n1)CCC(NC1CN(C(=O)OC(C)(C)C)C1)C2.

What is the InChIKey of tert-butyl 3-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]azetidine-1-carboxylate?

The InChIKey is XWOLXRHJFUBODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11-7-19-8-12(5-6-14(19)17-11)18-13-9-20(10-13)15(21)22-16(2,3)4/h7,12-13,18H,5-6,8-10H2,1-4H3.

What are the key properties of tert-butyl 3-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]azetidine-1-carboxylate?

tert-butyl 3-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]azetidine-1-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]azetidine-1-carboxylate is sourced from PubChem (CID 86817991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).