1-[3-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]azetidin-1-yl]propan-2-ol

C24H25ClN6O3 — CID 68608177

About 1-[3-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]azetidin-1-yl]propan-2-ol

1-[3-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]azetidin-1-yl]propan-2-ol (PubChem CID 68608177) has the molecular formula C24H25ClN6O3 and a molecular weight of 480.96 g/mol. Its IUPAC name is 1-[3-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]azetidin-1-yl]propan-2-ol.

Molecular Properties

• Compound Name: 1-[3-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]azetidin-1-yl]propan-2-ol
• PubChem CID: 68608177
• Molecular Formula: C24H25ClN6O3
• Molecular Weight: 480.96 g/mol
• Exact Mass: 480.17
• IUPAC Name: 1-[3-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]azetidin-1-yl]propan-2-ol
• SMILES: COc1cc(OC2CN(CC(C)O)C2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
• InChI: InChI=1S/C24H25ClN6O3/c1-15(32)12-30-13-17(14-30)34-16-6-7-19(21(9-16)33-2)28-24-27-10-18(25)23(29-24)20-11-26-22-5-3-4-8-31(20)22/h3-11,15,17,32H,12-14H2,1-2H3,(H,27,28,29)
• InChIKey: DLWJLLHLJRWYRI-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 97.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.96
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]azetidin-1-yl]propan-2-ol?

The IUPAC name of 1-[3-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]azetidin-1-yl]propan-2-ol (CID 68608177) is 1-[3-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]azetidin-1-yl]propan-2-ol.

What is the SMILES notation for 1-[3-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]azetidin-1-yl]propan-2-ol?

The canonical SMILES for 1-[3-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]azetidin-1-yl]propan-2-ol is COc1cc(OC2CN(CC(C)O)C2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1.

What is the InChIKey of 1-[3-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]azetidin-1-yl]propan-2-ol?

The InChIKey is DLWJLLHLJRWYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O3/c1-15(32)12-30-13-17(14-30)34-16-6-7-19(21(9-16)33-2)28-24-27-10-18(25)23(29-24)20-11-26-22-5-3-4-8-31(20)22/h3-11,15,17,32H,12-14H2,1-2H3,(H,27,28,29).

What are the key properties of 1-[3-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]azetidin-1-yl]propan-2-ol?

1-[3-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]azetidin-1-yl]propan-2-ol has a molecular weight of 480.96 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]azetidin-1-yl]propan-2-ol is sourced from PubChem (CID 68608177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).