3-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;3-[6-(4-chlorotriazol-1-yl)-2-fluoro-3-methoxyphenyl]-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;5-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide;bis(4-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide)

C125H113Cl3F4N40O9 — CID 161089385

About 3-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;3-[6-(4-chlorotriazol-1-yl)-2-fluoro-3-methoxyphenyl]-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;5-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide;bis(4-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide)

3-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;3-[6-(4-chlorotriazol-1-yl)-2-fluoro-3-methoxyphenyl]-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;5-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide;bis(4-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide) (PubChem CID 161089385) has the molecular formula C125H113Cl3F4N40O9 and a molecular weight of 2501.90 g/mol. Its IUPAC name is 3-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;3-[6-(4-chlorotriazol-1-yl)-2-fluoro-3-methoxyphenyl]-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;5-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide;bis(4-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide).

Molecular Properties

• Compound Name: 3-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;3-[6-(4-chlorotriazol-1-yl)-2-fluoro-3-methoxyphenyl]-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;5-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide;bis(4-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide)
• PubChem CID: 161089385
• Molecular Formula: C125H113Cl3F4N40O9
• Molecular Weight: 2501.90 g/mol
• Exact Mass: 2498.86
• IUPAC Name: 3-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;3-[6-(4-chlorotriazol-1-yl)-2-fluoro-3-methoxyphenyl]-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;5-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide;bis(4-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide)
• SMILES: COc1ccc(-n2cc(Cl)nn2)c(CCC(=O)c2cn(Cc3cn4cc(C5CC5)ccc4n3)nn2)c1F.COc1ccc(-n2cnnn2)c(CNC(=O)c2cc3n(n2)CCC3c2cn3cc(C4CC4)ccc3n2)c1F.COc1ccc(-n2cnnn2)c(CNC(=O)c2cc3n(n2)CCC3c2cn3cc(C4CC4)ccc3n2)c1F.COc1ccnc(CNC(=O)c2cn3c(n2)CCC3c2cn3cc(C4CC4)ccc3n2)c1F.O=C(CCc1cc(Cl)ccc1-n1cc(Cl)nn1)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1
• InChI: InChI=1S/2C26H24FN9O2.C25H22ClFN8O2.C24H20Cl2N8O.C24H23FN6O2/c2*1-38-23-6-5-21(36-14-29-32-33-36)18(25(23)27)11-28-26(37)19-10-22-17(8-9-35(22)31-19)20-13-34-12-16(15-2-3-15)4-7-24(34)30-20;1-37-22-8-6-20(35-14-23(26)30-32-35)18(25(22)27)5-7-21(36)19-13-34(31-29-19)12-17-11-33-10-16(15-2-3-15)4-9-24(33)28-17;25-18-5-6-21(34-14-23(26)29-31-34)16(9-18)3-7-22(35)20-13-33(30-28-20)12-19-11-32-10-17(15-1-2-15)4-8-24(32)27-19;1-33-20-8-9-26-16(23(20)25)10-27-24(32)18-13-31-19(5-7-22(31)29-18)17-12-30-11-15(14-2-3-14)4-6-21(30)28-17/h2*4-7,10,12-15,17H,2-3,8-9,11H2,1H3,(H,28,37);4,6,8-11,13-15H,2-3,5,7,12H2,1H3;4-6,8-11,13-15H,1-3,7,12H2;4,6,8-9,11-14,19H,2-3,5,7,10H2,1H3,(H,27,32)
• InChIKey: UGYTWTUQEQQIQX-UHFFFAOYSA-N
• XLogP: 18.01
• TPSA: 521.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 46
• Rotatable Bonds: 37
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2501.90
LogP ≤ 5	18.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;3-[6-(4-chlorotriazol-1-yl)-2-fluoro-3-methoxyphenyl]-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;5-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide;bis(4-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide)?

The IUPAC name of 3-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;3-[6-(4-chlorotriazol-1-yl)-2-fluoro-3-methoxyphenyl]-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;5-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide;bis(4-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide) (CID 161089385) is 3-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;3-[6-(4-chlorotriazol-1-yl)-2-fluoro-3-methoxyphenyl]-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;5-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide;bis(4-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide).

What is the SMILES notation for 3-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;3-[6-(4-chlorotriazol-1-yl)-2-fluoro-3-methoxyphenyl]-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;5-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide;bis(4-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide)?

The canonical SMILES for 3-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;3-[6-(4-chlorotriazol-1-yl)-2-fluoro-3-methoxyphenyl]-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;5-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide;bis(4-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide) is COc1ccc(-n2cc(Cl)nn2)c(CCC(=O)c2cn(Cc3cn4cc(C5CC5)ccc4n3)nn2)c1F.COc1ccc(-n2cnnn2)c(CNC(=O)c2cc3n(n2)CCC3c2cn3cc(C4CC4)ccc3n2)c1F.COc1ccc(-n2cnnn2)c(CNC(=O)c2cc3n(n2)CCC3c2cn3cc(C4CC4)ccc3n2)c1F.COc1ccnc(CNC(=O)c2cn3c(n2)CCC3c2cn3cc(C4CC4)ccc3n2)c1F.O=C(CCc1cc(Cl)ccc1-n1cc(Cl)nn1)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1.

What is the InChIKey of 3-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;3-[6-(4-chlorotriazol-1-yl)-2-fluoro-3-methoxyphenyl]-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;5-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide;bis(4-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide)?

The InChIKey is UGYTWTUQEQQIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H24FN9O2.C25H22ClFN8O2.C24H20Cl2N8O.C24H23FN6O2/c2*1-38-23-6-5-21(36-14-29-32-33-36)18(25(23)27)11-28-26(37)19-10-22-17(8-9-35(22)31-19)20-13-34-12-16(15-2-3-15)4-7-24(34)30-20;1-37-22-8-6-20(35-14-23(26)30-32-35)18(25(22)27)5-7-21(36)19-13-34(31-29-19)12-17-11-33-10-16(15-2-3-15)4-9-24(33)28-17;25-18-5-6-21(34-14-23(26)29-31-34)16(9-18)3-7-22(35)20-13-33(30-28-20)12-19-11-32-10-17(15-1-2-15)4-8-24(32)27-19;1-33-20-8-9-26-16(23(20)25)10-27-24(32)18-13-31-19(5-7-22(31)29-18)17-12-30-11-15(14-2-3-14)4-6-21(30)28-17/h2*4-7,10,12-15,17H,2-3,8-9,11H2,1H3,(H,28,37);4,6,8-11,13-15H,2-3,5,7,12H2,1H3;4-6,8-11,13-15H,1-3,7,12H2;4,6,8-9,11-14,19H,2-3,5,7,10H2,1H3,(H,27,32).

What are the key properties of 3-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;3-[6-(4-chlorotriazol-1-yl)-2-fluoro-3-methoxyphenyl]-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;5-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide;bis(4-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide)?

3-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;3-[6-(4-chlorotriazol-1-yl)-2-fluoro-3-methoxyphenyl]-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;5-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide;bis(4-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide) has a molecular weight of 2501.90 g/mol, XLogP of 18.01, 37 rotatable bonds, 3 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;3-[6-(4-chlorotriazol-1-yl)-2-fluoro-3-methoxyphenyl]-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;5-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide;bis(4-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide) is sourced from PubChem (CID 161089385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).