2-chloro-4-methoxy-5-pyridin-3-ylpyrimidine;imidazo[1,2-a]pyridine-6-carbonitrile;3-(4-methoxy-5-pyridin-3-ylpyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-(6-oxo-5-pyridin-3-yl-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile

C53H35ClN18O3 — CID 158573075

About 2-chloro-4-methoxy-5-pyridin-3-ylpyrimidine;imidazo[1,2-a]pyridine-6-carbonitrile;3-(4-methoxy-5-pyridin-3-ylpyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-(6-oxo-5-pyridin-3-yl-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile

2-chloro-4-methoxy-5-pyridin-3-ylpyrimidine;imidazo[1,2-a]pyridine-6-carbonitrile;3-(4-methoxy-5-pyridin-3-ylpyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-(6-oxo-5-pyridin-3-yl-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile (PubChem CID 158573075) has the molecular formula C53H35ClN18O3 and a molecular weight of 1007.44 g/mol. Its IUPAC name is 2-chloro-4-methoxy-5-pyridin-3-ylpyrimidine;imidazo[1,2-a]pyridine-6-carbonitrile;3-(4-methoxy-5-pyridin-3-ylpyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-(6-oxo-5-pyridin-3-yl-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile.

Molecular Properties

• Compound Name: 2-chloro-4-methoxy-5-pyridin-3-ylpyrimidine;imidazo[1,2-a]pyridine-6-carbonitrile;3-(4-methoxy-5-pyridin-3-ylpyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-(6-oxo-5-pyridin-3-yl-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile
• PubChem CID: 158573075
• Molecular Formula: C53H35ClN18O3
• Molecular Weight: 1007.44 g/mol
• Exact Mass: 1006.28
• IUPAC Name: 2-chloro-4-methoxy-5-pyridin-3-ylpyrimidine;imidazo[1,2-a]pyridine-6-carbonitrile;3-(4-methoxy-5-pyridin-3-ylpyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-(6-oxo-5-pyridin-3-yl-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile
• SMILES: COc1nc(-c2cnc3ccc(C#N)cn23)ncc1-c1cccnc1.COc1nc(Cl)ncc1-c1cccnc1.N#Cc1ccc2ncc(-c3ncc(-c4cccnc4)c(=O)[nH]3)n2c1.N#Cc1ccc2nccn2c1
• InChI: InChI=1S/C18H12N6O.C17H10N6O.C10H8ClN3O.C8H5N3/c1-25-18-14(13-3-2-6-20-8-13)9-22-17(23-18)15-10-21-16-5-4-12(7-19)11-24(15)16;18-6-11-3-4-15-20-9-14(23(15)10-11)16-21-8-13(17(24)22-16)12-2-1-5-19-7-12;1-15-9-8(6-13-10(11)14-9)7-3-2-4-12-5-7;9-5-7-1-2-8-10-3-4-11(8)6-7/h2-6,8-11H,1H3;1-5,7-10H,(H,21,22,24);2-6H,1H3;1-4,6H
• InChIKey: HSHZMUGHFIZNNX-UHFFFAOYSA-N
• XLogP: 8.16
• TPSA: 277.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 7
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1007.44
LogP ≤ 5	8.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-5-pyridin-3-ylpyrimidine;imidazo[1,2-a]pyridine-6-carbonitrile;3-(4-methoxy-5-pyridin-3-ylpyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-(6-oxo-5-pyridin-3-yl-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile?

The IUPAC name of 2-chloro-4-methoxy-5-pyridin-3-ylpyrimidine;imidazo[1,2-a]pyridine-6-carbonitrile;3-(4-methoxy-5-pyridin-3-ylpyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-(6-oxo-5-pyridin-3-yl-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile (CID 158573075) is 2-chloro-4-methoxy-5-pyridin-3-ylpyrimidine;imidazo[1,2-a]pyridine-6-carbonitrile;3-(4-methoxy-5-pyridin-3-ylpyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-(6-oxo-5-pyridin-3-yl-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile.

What is the SMILES notation for 2-chloro-4-methoxy-5-pyridin-3-ylpyrimidine;imidazo[1,2-a]pyridine-6-carbonitrile;3-(4-methoxy-5-pyridin-3-ylpyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-(6-oxo-5-pyridin-3-yl-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile?

The canonical SMILES for 2-chloro-4-methoxy-5-pyridin-3-ylpyrimidine;imidazo[1,2-a]pyridine-6-carbonitrile;3-(4-methoxy-5-pyridin-3-ylpyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-(6-oxo-5-pyridin-3-yl-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile is COc1nc(-c2cnc3ccc(C#N)cn23)ncc1-c1cccnc1.COc1nc(Cl)ncc1-c1cccnc1.N#Cc1ccc2ncc(-c3ncc(-c4cccnc4)c(=O)[nH]3)n2c1.N#Cc1ccc2nccn2c1.

What is the InChIKey of 2-chloro-4-methoxy-5-pyridin-3-ylpyrimidine;imidazo[1,2-a]pyridine-6-carbonitrile;3-(4-methoxy-5-pyridin-3-ylpyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-(6-oxo-5-pyridin-3-yl-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile?

The InChIKey is HSHZMUGHFIZNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6O.C17H10N6O.C10H8ClN3O.C8H5N3/c1-25-18-14(13-3-2-6-20-8-13)9-22-17(23-18)15-10-21-16-5-4-12(7-19)11-24(15)16;18-6-11-3-4-15-20-9-14(23(15)10-11)16-21-8-13(17(24)22-16)12-2-1-5-19-7-12;1-15-9-8(6-13-10(11)14-9)7-3-2-4-12-5-7;9-5-7-1-2-8-10-3-4-11(8)6-7/h2-6,8-11H,1H3;1-5,7-10H,(H,21,22,24);2-6H,1H3;1-4,6H.

What are the key properties of 2-chloro-4-methoxy-5-pyridin-3-ylpyrimidine;imidazo[1,2-a]pyridine-6-carbonitrile;3-(4-methoxy-5-pyridin-3-ylpyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-(6-oxo-5-pyridin-3-yl-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile?

2-chloro-4-methoxy-5-pyridin-3-ylpyrimidine;imidazo[1,2-a]pyridine-6-carbonitrile;3-(4-methoxy-5-pyridin-3-ylpyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-(6-oxo-5-pyridin-3-yl-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile has a molecular weight of 1007.44 g/mol, XLogP of 8.16, 7 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-methoxy-5-pyridin-3-ylpyrimidine;imidazo[1,2-a]pyridine-6-carbonitrile;3-(4-methoxy-5-pyridin-3-ylpyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-(6-oxo-5-pyridin-3-yl-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 158573075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).