azetidin-3-ylmethyl 4-[7-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]naphthalen-2-yl]pyridine-2-carboxylate

C29H25N5O2 — CID 167367080

About azetidin-3-ylmethyl 4-[7-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]naphthalen-2-yl]pyridine-2-carboxylate

azetidin-3-ylmethyl 4-[7-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]naphthalen-2-yl]pyridine-2-carboxylate (PubChem CID 167367080) has the molecular formula C29H25N5O2 and a molecular weight of 475.55 g/mol. Its IUPAC name is azetidin-3-ylmethyl 4-[7-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]naphthalen-2-yl]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: azetidin-3-ylmethyl 4-[7-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]naphthalen-2-yl]pyridine-2-carboxylate
• PubChem CID: 167367080
• Molecular Formula: C29H25N5O2
• Molecular Weight: 475.55 g/mol
• Exact Mass: 475.20
• IUPAC Name: azetidin-3-ylmethyl 4-[7-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]naphthalen-2-yl]pyridine-2-carboxylate
• SMILES: Cc1cccc(-c2[nH]cnc2-c2ccc3ccc(-c4ccnc(C(=O)OCC5CNC5)c4)cc3c2)n1
• InChI: InChI=1S/C29H25N5O2/c1-18-3-2-4-25(34-18)28-27(32-17-33-28)23-8-6-20-5-7-21(11-24(20)12-23)22-9-10-31-26(13-22)29(35)36-16-19-14-30-15-19/h2-13,17,19,30H,14-16H2,1H3,(H,32,33)
• InChIKey: CAFRHCFJPVYZFB-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 92.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.55
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of azetidin-3-ylmethyl 4-[7-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]naphthalen-2-yl]pyridine-2-carboxylate?

The IUPAC name of azetidin-3-ylmethyl 4-[7-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]naphthalen-2-yl]pyridine-2-carboxylate (CID 167367080) is azetidin-3-ylmethyl 4-[7-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]naphthalen-2-yl]pyridine-2-carboxylate.

What is the SMILES notation for azetidin-3-ylmethyl 4-[7-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]naphthalen-2-yl]pyridine-2-carboxylate?

The canonical SMILES for azetidin-3-ylmethyl 4-[7-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]naphthalen-2-yl]pyridine-2-carboxylate is Cc1cccc(-c2[nH]cnc2-c2ccc3ccc(-c4ccnc(C(=O)OCC5CNC5)c4)cc3c2)n1.

What is the InChIKey of azetidin-3-ylmethyl 4-[7-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]naphthalen-2-yl]pyridine-2-carboxylate?

The InChIKey is CAFRHCFJPVYZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O2/c1-18-3-2-4-25(34-18)28-27(32-17-33-28)23-8-6-20-5-7-21(11-24(20)12-23)22-9-10-31-26(13-22)29(35)36-16-19-14-30-15-19/h2-13,17,19,30H,14-16H2,1H3,(H,32,33).

What are the key properties of azetidin-3-ylmethyl 4-[7-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]naphthalen-2-yl]pyridine-2-carboxylate?

azetidin-3-ylmethyl 4-[7-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]naphthalen-2-yl]pyridine-2-carboxylate has a molecular weight of 475.55 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for azetidin-3-ylmethyl 4-[7-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]naphthalen-2-yl]pyridine-2-carboxylate is sourced from PubChem (CID 167367080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).