acetic acid;N-(2-amino-5-bromo-3-pyridinyl)-1-(4-ethenylphenyl)-3,3-difluorocyclobutane-1-carboxamide;6-bromo-2-[1-(4-ethenylphenyl)-3,3-difluorocyclobutyl]-1H-imidazo[4,5-b]pyridine;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]benzoic acid;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]-N-cyclohexylbenzamide;cyclohexanamine;2-[3,3-difluoro-1-(4-formylphenyl)cyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile;2-[1-(4-ethenylphenyl)-3,3-difluorocyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile

C123H108Br2F12N24O7 — CID 158911375

About acetic acid;N-(2-amino-5-bromo-3-pyridinyl)-1-(4-ethenylphenyl)-3,3-difluorocyclobutane-1-carboxamide;6-bromo-2-[1-(4-ethenylphenyl)-3,3-difluorocyclobutyl]-1H-imidazo[4,5-b]pyridine;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]benzoic acid;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]-N-cyclohexylbenzamide;cyclohexanamine;2-[3,3-difluoro-1-(4-formylphenyl)cyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile;2-[1-(4-ethenylphenyl)-3,3-difluorocyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile

acetic acid;N-(2-amino-5-bromo-3-pyridinyl)-1-(4-ethenylphenyl)-3,3-difluorocyclobutane-1-carboxamide;6-bromo-2-[1-(4-ethenylphenyl)-3,3-difluorocyclobutyl]-1H-imidazo[4,5-b]pyridine;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]benzoic acid;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]-N-cyclohexylbenzamide;cyclohexanamine;2-[3,3-difluoro-1-(4-formylphenyl)cyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile;2-[1-(4-ethenylphenyl)-3,3-difluorocyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile (PubChem CID 158911375) has the molecular formula C123H108Br2F12N24O7 and a molecular weight of 2422.16 g/mol. Its IUPAC name is acetic acid;N-(2-amino-5-bromo-3-pyridinyl)-1-(4-ethenylphenyl)-3,3-difluorocyclobutane-1-carboxamide;6-bromo-2-[1-(4-ethenylphenyl)-3,3-difluorocyclobutyl]-1H-imidazo[4,5-b]pyridine;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]benzoic acid;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]-N-cyclohexylbenzamide;cyclohexanamine;2-[3,3-difluoro-1-(4-formylphenyl)cyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile;2-[1-(4-ethenylphenyl)-3,3-difluorocyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile.

Molecular Properties

• Compound Name: acetic acid;N-(2-amino-5-bromo-3-pyridinyl)-1-(4-ethenylphenyl)-3,3-difluorocyclobutane-1-carboxamide;6-bromo-2-[1-(4-ethenylphenyl)-3,3-difluorocyclobutyl]-1H-imidazo[4,5-b]pyridine;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]benzoic acid;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]-N-cyclohexylbenzamide;cyclohexanamine;2-[3,3-difluoro-1-(4-formylphenyl)cyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile;2-[1-(4-ethenylphenyl)-3,3-difluorocyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile
• PubChem CID: 158911375
• Molecular Formula: C123H108Br2F12N24O7
• Molecular Weight: 2422.16 g/mol
• Exact Mass: 2418.70
• IUPAC Name: acetic acid;N-(2-amino-5-bromo-3-pyridinyl)-1-(4-ethenylphenyl)-3,3-difluorocyclobutane-1-carboxamide;6-bromo-2-[1-(4-ethenylphenyl)-3,3-difluorocyclobutyl]-1H-imidazo[4,5-b]pyridine;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]benzoic acid;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]-N-cyclohexylbenzamide;cyclohexanamine;2-[3,3-difluoro-1-(4-formylphenyl)cyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile;2-[1-(4-ethenylphenyl)-3,3-difluorocyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile
• SMILES: C=Cc1ccc(C2(C(=O)Nc3cc(Br)cnc3N)CC(F)(F)C2)cc1.C=Cc1ccc(C2(c3nc4ncc(Br)cc4[nH]3)CC(F)(F)C2)cc1.C=Cc1ccc(C2(c3nc4ncc(C#N)cc4[nH]3)CC(F)(F)C2)cc1.CC(=O)O.N#Cc1cnc2nc(C3(c4ccc(C(=O)NC5CCCCC5)cc4)CC(F)(F)C3)[nH]c2c1.N#Cc1cnc2nc(C3(c4ccc(C(=O)O)cc4)CC(F)(F)C3)[nH]c2c1.N#Cc1cnc2nc(C3(c4ccc(C=O)cc4)CC(F)(F)C3)[nH]c2c1.NC1CCCCC1
• InChI: InChI=1S/C24H23F2N5O.C19H14F2N4.C18H16BrF2N3O.C18H14BrF2N3.C18H12F2N4O2.C18H12F2N4O.C6H13N.C2H4O2/c25-24(26)13-23(14-24,22-30-19-10-15(11-27)12-28-20(19)31-22)17-8-6-16(7-9-17)21(32)29-18-4-2-1-3-5-18;1-2-12-3-5-14(6-4-12)18(10-19(20,21)11-18)17-24-15-7-13(8-22)9-23-16(15)25-17;1-2-11-3-5-12(6-4-11)17(9-18(20,21)10-17)16(25)24-14-7-13(19)8-23-15(14)22;1-2-11-3-5-12(6-4-11)17(9-18(20,21)10-17)16-23-14-7-13(19)8-22-15(14)24-16;19-18(20)8-17(9-18,12-3-1-11(2-4-12)15(25)26)16-23-13-5-10(6-21)7-22-14(13)24-16;19-18(20)9-17(10-18,13-3-1-11(8-25)2-4-13)16-23-14-5-12(6-21)7-22-15(14)24-16;7-6-4-2-1-3-5-6;1-2(3)4/h6-10,12,18H,1-5,13-14H2,(H,29,32)(H,28,30,31);2-7,9H,1,10-11H2,(H,23,24,25);2-8H,1,9-10H2,(H2,22,23)(H,24,25);2-8H,1,9-10H2,(H,22,23,24);1-5,7H,8-9H2,(H,25,26)(H,22,23,24);1-5,7-8H,9-10H2,(H,22,23,24);6H,1-5,7H2;1H3,(H,3,4)
• InChIKey: CPEGVAGUQNJEKR-UHFFFAOYSA-N
• XLogP: 26.22
• TPSA: 517.81 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2422.16
LogP ≤ 5	26.22
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-(2-amino-5-bromo-3-pyridinyl)-1-(4-ethenylphenyl)-3,3-difluorocyclobutane-1-carboxamide;6-bromo-2-[1-(4-ethenylphenyl)-3,3-difluorocyclobutyl]-1H-imidazo[4,5-b]pyridine;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]benzoic acid;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]-N-cyclohexylbenzamide;cyclohexanamine;2-[3,3-difluoro-1-(4-formylphenyl)cyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile;2-[1-(4-ethenylphenyl)-3,3-difluorocyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?

The IUPAC name of acetic acid;N-(2-amino-5-bromo-3-pyridinyl)-1-(4-ethenylphenyl)-3,3-difluorocyclobutane-1-carboxamide;6-bromo-2-[1-(4-ethenylphenyl)-3,3-difluorocyclobutyl]-1H-imidazo[4,5-b]pyridine;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]benzoic acid;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]-N-cyclohexylbenzamide;cyclohexanamine;2-[3,3-difluoro-1-(4-formylphenyl)cyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile;2-[1-(4-ethenylphenyl)-3,3-difluorocyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile (CID 158911375) is acetic acid;N-(2-amino-5-bromo-3-pyridinyl)-1-(4-ethenylphenyl)-3,3-difluorocyclobutane-1-carboxamide;6-bromo-2-[1-(4-ethenylphenyl)-3,3-difluorocyclobutyl]-1H-imidazo[4,5-b]pyridine;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]benzoic acid;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]-N-cyclohexylbenzamide;cyclohexanamine;2-[3,3-difluoro-1-(4-formylphenyl)cyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile;2-[1-(4-ethenylphenyl)-3,3-difluorocyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile.

What is the SMILES notation for acetic acid;N-(2-amino-5-bromo-3-pyridinyl)-1-(4-ethenylphenyl)-3,3-difluorocyclobutane-1-carboxamide;6-bromo-2-[1-(4-ethenylphenyl)-3,3-difluorocyclobutyl]-1H-imidazo[4,5-b]pyridine;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]benzoic acid;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]-N-cyclohexylbenzamide;cyclohexanamine;2-[3,3-difluoro-1-(4-formylphenyl)cyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile;2-[1-(4-ethenylphenyl)-3,3-difluorocyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?

The canonical SMILES for acetic acid;N-(2-amino-5-bromo-3-pyridinyl)-1-(4-ethenylphenyl)-3,3-difluorocyclobutane-1-carboxamide;6-bromo-2-[1-(4-ethenylphenyl)-3,3-difluorocyclobutyl]-1H-imidazo[4,5-b]pyridine;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]benzoic acid;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]-N-cyclohexylbenzamide;cyclohexanamine;2-[3,3-difluoro-1-(4-formylphenyl)cyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile;2-[1-(4-ethenylphenyl)-3,3-difluorocyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile is C=Cc1ccc(C2(C(=O)Nc3cc(Br)cnc3N)CC(F)(F)C2)cc1.C=Cc1ccc(C2(c3nc4ncc(Br)cc4[nH]3)CC(F)(F)C2)cc1.C=Cc1ccc(C2(c3nc4ncc(C#N)cc4[nH]3)CC(F)(F)C2)cc1.CC(=O)O.N#Cc1cnc2nc(C3(c4ccc(C(=O)NC5CCCCC5)cc4)CC(F)(F)C3)[nH]c2c1.N#Cc1cnc2nc(C3(c4ccc(C(=O)O)cc4)CC(F)(F)C3)[nH]c2c1.N#Cc1cnc2nc(C3(c4ccc(C=O)cc4)CC(F)(F)C3)[nH]c2c1.NC1CCCCC1.

What is the InChIKey of acetic acid;N-(2-amino-5-bromo-3-pyridinyl)-1-(4-ethenylphenyl)-3,3-difluorocyclobutane-1-carboxamide;6-bromo-2-[1-(4-ethenylphenyl)-3,3-difluorocyclobutyl]-1H-imidazo[4,5-b]pyridine;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]benzoic acid;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]-N-cyclohexylbenzamide;cyclohexanamine;2-[3,3-difluoro-1-(4-formylphenyl)cyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile;2-[1-(4-ethenylphenyl)-3,3-difluorocyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?

The InChIKey is CPEGVAGUQNJEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O.C19H14F2N4.C18H16BrF2N3O.C18H14BrF2N3.C18H12F2N4O2.C18H12F2N4O.C6H13N.C2H4O2/c25-24(26)13-23(14-24,22-30-19-10-15(11-27)12-28-20(19)31-22)17-8-6-16(7-9-17)21(32)29-18-4-2-1-3-5-18;1-2-12-3-5-14(6-4-12)18(10-19(20,21)11-18)17-24-15-7-13(8-22)9-23-16(15)25-17;1-2-11-3-5-12(6-4-11)17(9-18(20,21)10-17)16(25)24-14-7-13(19)8-23-15(14)22;1-2-11-3-5-12(6-4-11)17(9-18(20,21)10-17)16-23-14-7-13(19)8-22-15(14)24-16;19-18(20)8-17(9-18,12-3-1-11(2-4-12)15(25)26)16-23-13-5-10(6-21)7-22-14(13)24-16;19-18(20)9-17(10-18,13-3-1-11(8-25)2-4-13)16-23-14-5-12(6-21)7-22-15(14)24-16;7-6-4-2-1-3-5-6;1-2(3)4/h6-10,12,18H,1-5,13-14H2,(H,29,32)(H,28,30,31);2-7,9H,1,10-11H2,(H,23,24,25);2-8H,1,9-10H2,(H2,22,23)(H,24,25);2-8H,1,9-10H2,(H,22,23,24);1-5,7H,8-9H2,(H,25,26)(H,22,23,24);1-5,7-8H,9-10H2,(H,22,23,24);6H,1-5,7H2;1H3,(H,3,4).

What are the key properties of acetic acid;N-(2-amino-5-bromo-3-pyridinyl)-1-(4-ethenylphenyl)-3,3-difluorocyclobutane-1-carboxamide;6-bromo-2-[1-(4-ethenylphenyl)-3,3-difluorocyclobutyl]-1H-imidazo[4,5-b]pyridine;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]benzoic acid;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]-N-cyclohexylbenzamide;cyclohexanamine;2-[3,3-difluoro-1-(4-formylphenyl)cyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile;2-[1-(4-ethenylphenyl)-3,3-difluorocyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?

acetic acid;N-(2-amino-5-bromo-3-pyridinyl)-1-(4-ethenylphenyl)-3,3-difluorocyclobutane-1-carboxamide;6-bromo-2-[1-(4-ethenylphenyl)-3,3-difluorocyclobutyl]-1H-imidazo[4,5-b]pyridine;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]benzoic acid;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]-N-cyclohexylbenzamide;cyclohexanamine;2-[3,3-difluoro-1-(4-formylphenyl)cyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile;2-[1-(4-ethenylphenyl)-3,3-difluorocyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile has a molecular weight of 2422.16 g/mol, XLogP of 26.22, 20 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;N-(2-amino-5-bromo-3-pyridinyl)-1-(4-ethenylphenyl)-3,3-difluorocyclobutane-1-carboxamide;6-bromo-2-[1-(4-ethenylphenyl)-3,3-difluorocyclobutyl]-1H-imidazo[4,5-b]pyridine;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]benzoic acid;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]-N-cyclohexylbenzamide;cyclohexanamine;2-[3,3-difluoro-1-(4-formylphenyl)cyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile;2-[1-(4-ethenylphenyl)-3,3-difluorocyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile is sourced from PubChem (CID 158911375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).