7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile

C26H24N6O4 — CID 158015467

About 7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile

7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 158015467) has the molecular formula C26H24N6O4 and a molecular weight of 484.52 g/mol. Its IUPAC name is 7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile
• PubChem CID: 158015467
• Molecular Formula: C26H24N6O4
• Molecular Weight: 484.52 g/mol
• Exact Mass: 484.19
• IUPAC Name: 7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile
• SMILES: COc1ccc(OC2CN(c3ccc(-c4cc(OCC5(O)CC5)cc5ncc(C#N)n45)cn3)C2)cn1
• InChI: InChI=1S/C26H24N6O4/c1-34-25-5-3-19(13-30-25)36-21-14-31(15-21)23-4-2-17(11-28-23)22-8-20(35-16-26(33)6-7-26)9-24-29-12-18(10-27)32(22)24/h2-5,8-9,11-13,21,33H,6-7,14-16H2,1H3
• InChIKey: FFKGPRSDMRJHQZ-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 118.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.52
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile?

The IUPAC name of 7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile (CID 158015467) is 7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile.

What is the SMILES notation for 7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile?

The canonical SMILES for 7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile is COc1ccc(OC2CN(c3ccc(-c4cc(OCC5(O)CC5)cc5ncc(C#N)n45)cn3)C2)cn1.

What is the InChIKey of 7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile?

The InChIKey is FFKGPRSDMRJHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O4/c1-34-25-5-3-19(13-30-25)36-21-14-31(15-21)23-4-2-17(11-28-23)22-8-20(35-16-26(33)6-7-26)9-24-29-12-18(10-27)32(22)24/h2-5,8-9,11-13,21,33H,6-7,14-16H2,1H3.

What are the key properties of 7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile?

7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 484.52 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 158015467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).