6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-chloro-1-(oxan-2-yl)imidazo[4,5-c]pyridine-4-carbonitrile;3-[4-[4-cyano-1-(oxan-2-yl)imidazo[4,5-c]pyridin-6-yl]-2-(trifluoromethyl)phenoxy]propyl methanesulfonate;3,4-diamino-6-chloropyridine-2-carbonitrile;6-[4-(3-hydroxypropoxy)-3-(trifluoromethyl)phenyl]-1-(oxan-2-yl)imidazo[4,5-c]pyridine-4-carbonitrile;6-[4-(3-morpholin-4-ylpropoxy)-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile

C91H83Cl3F9N25O11S — CID 157444660

About 6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-chloro-1-(oxan-2-yl)imidazo[4,5-c]pyridine-4-carbonitrile;3-[4-[4-cyano-1-(oxan-2-yl)imidazo[4,5-c]pyridin-6-yl]-2-(trifluoromethyl)phenoxy]propyl methanesulfonate;3,4-diamino-6-chloropyridine-2-carbonitrile;6-[4-(3-hydroxypropoxy)-3-(trifluoromethyl)phenyl]-1-(oxan-2-yl)imidazo[4,5-c]pyridine-4-carbonitrile;6-[4-(3-morpholin-4-ylpropoxy)-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile

6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-chloro-1-(oxan-2-yl)imidazo[4,5-c]pyridine-4-carbonitrile;3-[4-[4-cyano-1-(oxan-2-yl)imidazo[4,5-c]pyridin-6-yl]-2-(trifluoromethyl)phenoxy]propyl methanesulfonate;3,4-diamino-6-chloropyridine-2-carbonitrile;6-[4-(3-hydroxypropoxy)-3-(trifluoromethyl)phenyl]-1-(oxan-2-yl)imidazo[4,5-c]pyridine-4-carbonitrile;6-[4-(3-morpholin-4-ylpropoxy)-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile (PubChem CID 157444660) has the molecular formula C91H83Cl3F9N25O11S and a molecular weight of 2012.24 g/mol. Its IUPAC name is 6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-chloro-1-(oxan-2-yl)imidazo[4,5-c]pyridine-4-carbonitrile;3-[4-[4-cyano-1-(oxan-2-yl)imidazo[4,5-c]pyridin-6-yl]-2-(trifluoromethyl)phenoxy]propyl methanesulfonate;3,4-diamino-6-chloropyridine-2-carbonitrile;6-[4-(3-hydroxypropoxy)-3-(trifluoromethyl)phenyl]-1-(oxan-2-yl)imidazo[4,5-c]pyridine-4-carbonitrile;6-[4-(3-morpholin-4-ylpropoxy)-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile.

Molecular Properties

• Compound Name: 6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-chloro-1-(oxan-2-yl)imidazo[4,5-c]pyridine-4-carbonitrile;3-[4-[4-cyano-1-(oxan-2-yl)imidazo[4,5-c]pyridin-6-yl]-2-(trifluoromethyl)phenoxy]propyl methanesulfonate;3,4-diamino-6-chloropyridine-2-carbonitrile;6-[4-(3-hydroxypropoxy)-3-(trifluoromethyl)phenyl]-1-(oxan-2-yl)imidazo[4,5-c]pyridine-4-carbonitrile;6-[4-(3-morpholin-4-ylpropoxy)-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile
• PubChem CID: 157444660
• Molecular Formula: C91H83Cl3F9N25O11S
• Molecular Weight: 2012.24 g/mol
• Exact Mass: 2009.53
• IUPAC Name: 6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-chloro-1-(oxan-2-yl)imidazo[4,5-c]pyridine-4-carbonitrile;3-[4-[4-cyano-1-(oxan-2-yl)imidazo[4,5-c]pyridin-6-yl]-2-(trifluoromethyl)phenoxy]propyl methanesulfonate;3,4-diamino-6-chloropyridine-2-carbonitrile;6-[4-(3-hydroxypropoxy)-3-(trifluoromethyl)phenyl]-1-(oxan-2-yl)imidazo[4,5-c]pyridine-4-carbonitrile;6-[4-(3-morpholin-4-ylpropoxy)-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile
• SMILES: CS(=O)(=O)OCCCOc1ccc(-c2cc3c(ncn3C3CCCCO3)c(C#N)n2)cc1C(F)(F)F.N#Cc1nc(-c2ccc(OCCCN3CCOCC3)c(C(F)(F)F)c2)cc2[nH]cnc12.N#Cc1nc(-c2ccc(OCCCO)c(C(F)(F)F)c2)cc2c1ncn2C1CCCCO1.N#Cc1nc(Cl)cc(N)c1N.N#Cc1nc(Cl)cc2[nH]cnc12.N#Cc1nc(Cl)cc2c1ncn2C1CCCCO1
• InChI: InChI=1S/C23H23F3N4O5S.C22H21F3N4O3.C21H20F3N5O2.C12H11ClN4O.C7H3ClN4.C6H5ClN4/c1-36(31,32)35-10-4-9-33-20-7-6-15(11-16(20)23(24,25)26)17-12-19-22(18(13-27)29-17)28-14-30(19)21-5-2-3-8-34-21;23-22(24,25)15-10-14(5-6-19(15)31-9-3-7-30)16-11-18-21(17(12-26)28-16)27-13-29(18)20-4-1-2-8-32-20;22-21(23,24)15-10-14(16-11-17-20(27-13-26-17)18(12-25)28-16)2-3-19(15)31-7-1-4-29-5-8-30-9-6-29;13-10-5-9-12(8(6-14)16-10)15-7-17(9)11-3-1-2-4-18-11;8-6-1-4-7(11-3-10-4)5(2-9)12-6;7-5-1-3(9)6(10)4(2-8)11-5/h6-7,11-12,14,21H,2-5,8-10H2,1H3;5-6,10-11,13,20,30H,1-4,7-9H2;2-3,10-11,13H,1,4-9H2,(H,26,27);5,7,11H,1-4H2;1,3H,(H,10,11);1H,10H2,(H2,9,11)
• InChIKey: BSBSHXFRQDGSQY-UHFFFAOYSA-N
• XLogP: 17.41
• TPSA: 514.39 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 21
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2012.24
LogP ≤ 5	17.41
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-chloro-1-(oxan-2-yl)imidazo[4,5-c]pyridine-4-carbonitrile;3-[4-[4-cyano-1-(oxan-2-yl)imidazo[4,5-c]pyridin-6-yl]-2-(trifluoromethyl)phenoxy]propyl methanesulfonate;3,4-diamino-6-chloropyridine-2-carbonitrile;6-[4-(3-hydroxypropoxy)-3-(trifluoromethyl)phenyl]-1-(oxan-2-yl)imidazo[4,5-c]pyridine-4-carbonitrile;6-[4-(3-morpholin-4-ylpropoxy)-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile?

The IUPAC name of 6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-chloro-1-(oxan-2-yl)imidazo[4,5-c]pyridine-4-carbonitrile;3-[4-[4-cyano-1-(oxan-2-yl)imidazo[4,5-c]pyridin-6-yl]-2-(trifluoromethyl)phenoxy]propyl methanesulfonate;3,4-diamino-6-chloropyridine-2-carbonitrile;6-[4-(3-hydroxypropoxy)-3-(trifluoromethyl)phenyl]-1-(oxan-2-yl)imidazo[4,5-c]pyridine-4-carbonitrile;6-[4-(3-morpholin-4-ylpropoxy)-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile (CID 157444660) is 6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-chloro-1-(oxan-2-yl)imidazo[4,5-c]pyridine-4-carbonitrile;3-[4-[4-cyano-1-(oxan-2-yl)imidazo[4,5-c]pyridin-6-yl]-2-(trifluoromethyl)phenoxy]propyl methanesulfonate;3,4-diamino-6-chloropyridine-2-carbonitrile;6-[4-(3-hydroxypropoxy)-3-(trifluoromethyl)phenyl]-1-(oxan-2-yl)imidazo[4,5-c]pyridine-4-carbonitrile;6-[4-(3-morpholin-4-ylpropoxy)-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile.

What is the SMILES notation for 6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-chloro-1-(oxan-2-yl)imidazo[4,5-c]pyridine-4-carbonitrile;3-[4-[4-cyano-1-(oxan-2-yl)imidazo[4,5-c]pyridin-6-yl]-2-(trifluoromethyl)phenoxy]propyl methanesulfonate;3,4-diamino-6-chloropyridine-2-carbonitrile;6-[4-(3-hydroxypropoxy)-3-(trifluoromethyl)phenyl]-1-(oxan-2-yl)imidazo[4,5-c]pyridine-4-carbonitrile;6-[4-(3-morpholin-4-ylpropoxy)-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile?

The canonical SMILES for 6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-chloro-1-(oxan-2-yl)imidazo[4,5-c]pyridine-4-carbonitrile;3-[4-[4-cyano-1-(oxan-2-yl)imidazo[4,5-c]pyridin-6-yl]-2-(trifluoromethyl)phenoxy]propyl methanesulfonate;3,4-diamino-6-chloropyridine-2-carbonitrile;6-[4-(3-hydroxypropoxy)-3-(trifluoromethyl)phenyl]-1-(oxan-2-yl)imidazo[4,5-c]pyridine-4-carbonitrile;6-[4-(3-morpholin-4-ylpropoxy)-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile is CS(=O)(=O)OCCCOc1ccc(-c2cc3c(ncn3C3CCCCO3)c(C#N)n2)cc1C(F)(F)F.N#Cc1nc(-c2ccc(OCCCN3CCOCC3)c(C(F)(F)F)c2)cc2[nH]cnc12.N#Cc1nc(-c2ccc(OCCCO)c(C(F)(F)F)c2)cc2c1ncn2C1CCCCO1.N#Cc1nc(Cl)cc(N)c1N.N#Cc1nc(Cl)cc2[nH]cnc12.N#Cc1nc(Cl)cc2c1ncn2C1CCCCO1.

What is the InChIKey of 6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-chloro-1-(oxan-2-yl)imidazo[4,5-c]pyridine-4-carbonitrile;3-[4-[4-cyano-1-(oxan-2-yl)imidazo[4,5-c]pyridin-6-yl]-2-(trifluoromethyl)phenoxy]propyl methanesulfonate;3,4-diamino-6-chloropyridine-2-carbonitrile;6-[4-(3-hydroxypropoxy)-3-(trifluoromethyl)phenyl]-1-(oxan-2-yl)imidazo[4,5-c]pyridine-4-carbonitrile;6-[4-(3-morpholin-4-ylpropoxy)-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile?

The InChIKey is BSBSHXFRQDGSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O5S.C22H21F3N4O3.C21H20F3N5O2.C12H11ClN4O.C7H3ClN4.C6H5ClN4/c1-36(31,32)35-10-4-9-33-20-7-6-15(11-16(20)23(24,25)26)17-12-19-22(18(13-27)29-17)28-14-30(19)21-5-2-3-8-34-21;23-22(24,25)15-10-14(5-6-19(15)31-9-3-7-30)16-11-18-21(17(12-26)28-16)27-13-29(18)20-4-1-2-8-32-20;22-21(23,24)15-10-14(16-11-17-20(27-13-26-17)18(12-25)28-16)2-3-19(15)31-7-1-4-29-5-8-30-9-6-29;13-10-5-9-12(8(6-14)16-10)15-7-17(9)11-3-1-2-4-18-11;8-6-1-4-7(11-3-10-4)5(2-9)12-6;7-5-1-3(9)6(10)4(2-8)11-5/h6-7,11-12,14,21H,2-5,8-10H2,1H3;5-6,10-11,13,20,30H,1-4,7-9H2;2-3,10-11,13H,1,4-9H2,(H,26,27);5,7,11H,1-4H2;1,3H,(H,10,11);1H,10H2,(H2,9,11).

What are the key properties of 6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-chloro-1-(oxan-2-yl)imidazo[4,5-c]pyridine-4-carbonitrile;3-[4-[4-cyano-1-(oxan-2-yl)imidazo[4,5-c]pyridin-6-yl]-2-(trifluoromethyl)phenoxy]propyl methanesulfonate;3,4-diamino-6-chloropyridine-2-carbonitrile;6-[4-(3-hydroxypropoxy)-3-(trifluoromethyl)phenyl]-1-(oxan-2-yl)imidazo[4,5-c]pyridine-4-carbonitrile;6-[4-(3-morpholin-4-ylpropoxy)-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile?

6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-chloro-1-(oxan-2-yl)imidazo[4,5-c]pyridine-4-carbonitrile;3-[4-[4-cyano-1-(oxan-2-yl)imidazo[4,5-c]pyridin-6-yl]-2-(trifluoromethyl)phenoxy]propyl methanesulfonate;3,4-diamino-6-chloropyridine-2-carbonitrile;6-[4-(3-hydroxypropoxy)-3-(trifluoromethyl)phenyl]-1-(oxan-2-yl)imidazo[4,5-c]pyridine-4-carbonitrile;6-[4-(3-morpholin-4-ylpropoxy)-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile has a molecular weight of 2012.24 g/mol, XLogP of 17.41, 21 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-chloro-1-(oxan-2-yl)imidazo[4,5-c]pyridine-4-carbonitrile;3-[4-[4-cyano-1-(oxan-2-yl)imidazo[4,5-c]pyridin-6-yl]-2-(trifluoromethyl)phenoxy]propyl methanesulfonate;3,4-diamino-6-chloropyridine-2-carbonitrile;6-[4-(3-hydroxypropoxy)-3-(trifluoromethyl)phenyl]-1-(oxan-2-yl)imidazo[4,5-c]pyridine-4-carbonitrile;6-[4-(3-morpholin-4-ylpropoxy)-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile is sourced from PubChem (CID 157444660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).