(4-bromophenyl)-cyclohexylmethanone;tert-butyl 4-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperazine-1-carboxylate;4-[6-[4-[hydroxy(piperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-[(S)-hydroxy(piperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperidine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzonitrile

C141H134BBrN20O9 — CID 161115482

About (4-bromophenyl)-cyclohexylmethanone;tert-butyl 4-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperazine-1-carboxylate;4-[6-[4-[hydroxy(piperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-[(S)-hydroxy(piperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperidine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzonitrile

(4-bromophenyl)-cyclohexylmethanone;tert-butyl 4-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperazine-1-carboxylate;4-[6-[4-[hydroxy(piperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-[(S)-hydroxy(piperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperidine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzonitrile (PubChem CID 161115482) has the molecular formula C141H134BBrN20O9 and a molecular weight of 2343.47 g/mol. Its IUPAC name is (4-bromophenyl)-cyclohexylmethanone;tert-butyl 4-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperazine-1-carboxylate;4-[6-[4-[hydroxy(piperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-[(S)-hydroxy(piperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperidine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzonitrile.

Molecular Properties

• Compound Name: (4-bromophenyl)-cyclohexylmethanone;tert-butyl 4-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperazine-1-carboxylate;4-[6-[4-[hydroxy(piperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-[(S)-hydroxy(piperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperidine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzonitrile
• PubChem CID: 161115482
• Molecular Formula: C141H134BBrN20O9
• Molecular Weight: 2343.47 g/mol
• Exact Mass: 2340.99
• IUPAC Name: (4-bromophenyl)-cyclohexylmethanone;tert-butyl 4-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperazine-1-carboxylate;4-[6-[4-[hydroxy(piperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-[(S)-hydroxy(piperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperidine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzonitrile
• SMILES: CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5ccc(C#N)cc5)n4c3)cc2)CC1.CC1(C)OB(c2ccc3ncc(-c4ccc(C#N)cc4)n3c2)OC1(C)C.N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)C5CCNCC5)cc4)cn23)cc1.N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(O)C5CCNCC5)cc4)cn23)cc1.N#Cc1ccc(-c2cnc3ccc(-c4ccc([C@@H](O)C5CCNCC5)cc4)cn23)cc1.O=C(c1ccc(Br)cc1)C1CCCCC1
• InChI: InChI=1S/C30H29N5O3.2C26H24N4O.C26H22N4O.C20H20BN3O2.C13H15BrO/c1-30(2,3)38-29(37)34-16-14-33(15-17-34)28(36)24-10-8-22(9-11-24)25-12-13-27-32-19-26(35(27)20-25)23-6-4-21(18-31)5-7-23;3*27-15-18-1-3-20(4-2-18)24-16-29-25-10-9-23(17-30(24)25)19-5-7-21(8-6-19)26(31)22-11-13-28-14-12-22;1-19(2)20(3,4)26-21(25-19)16-9-10-18-23-12-17(24(18)13-16)15-7-5-14(11-22)6-8-15;14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h4-13,19-20H,14-17H2,1-3H3;2*1-10,16-17,22,26,28,31H,11-14H2;1-10,16-17,22,28H,11-14H2;5-10,12-13H,1-4H3;6-10H,1-5H2/t;26-;;;;/m.1..../s1
• InChIKey: UKGKTJNTJPRXOP-SVDWQKQKSA-N
• XLogP: 26.49
• TPSA: 384.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 19
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2343.47
LogP ≤ 5	26.49
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-cyclohexylmethanone;tert-butyl 4-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperazine-1-carboxylate;4-[6-[4-[hydroxy(piperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-[(S)-hydroxy(piperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperidine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzonitrile?

The IUPAC name of (4-bromophenyl)-cyclohexylmethanone;tert-butyl 4-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperazine-1-carboxylate;4-[6-[4-[hydroxy(piperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-[(S)-hydroxy(piperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperidine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzonitrile (CID 161115482) is (4-bromophenyl)-cyclohexylmethanone;tert-butyl 4-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperazine-1-carboxylate;4-[6-[4-[hydroxy(piperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-[(S)-hydroxy(piperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperidine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzonitrile.

What is the SMILES notation for (4-bromophenyl)-cyclohexylmethanone;tert-butyl 4-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperazine-1-carboxylate;4-[6-[4-[hydroxy(piperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-[(S)-hydroxy(piperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperidine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzonitrile?

The canonical SMILES for (4-bromophenyl)-cyclohexylmethanone;tert-butyl 4-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperazine-1-carboxylate;4-[6-[4-[hydroxy(piperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-[(S)-hydroxy(piperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperidine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzonitrile is CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5ccc(C#N)cc5)n4c3)cc2)CC1.CC1(C)OB(c2ccc3ncc(-c4ccc(C#N)cc4)n3c2)OC1(C)C.N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)C5CCNCC5)cc4)cn23)cc1.N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(O)C5CCNCC5)cc4)cn23)cc1.N#Cc1ccc(-c2cnc3ccc(-c4ccc([C@@H](O)C5CCNCC5)cc4)cn23)cc1.O=C(c1ccc(Br)cc1)C1CCCCC1.

What is the InChIKey of (4-bromophenyl)-cyclohexylmethanone;tert-butyl 4-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperazine-1-carboxylate;4-[6-[4-[hydroxy(piperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-[(S)-hydroxy(piperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperidine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzonitrile?

The InChIKey is UKGKTJNTJPRXOP-SVDWQKQKSA-N. The full InChI is InChI=1S/C30H29N5O3.2C26H24N4O.C26H22N4O.C20H20BN3O2.C13H15BrO/c1-30(2,3)38-29(37)34-16-14-33(15-17-34)28(36)24-10-8-22(9-11-24)25-12-13-27-32-19-26(35(27)20-25)23-6-4-21(18-31)5-7-23;3*27-15-18-1-3-20(4-2-18)24-16-29-25-10-9-23(17-30(24)25)19-5-7-21(8-6-19)26(31)22-11-13-28-14-12-22;1-19(2)20(3,4)26-21(25-19)16-9-10-18-23-12-17(24(18)13-16)15-7-5-14(11-22)6-8-15;14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h4-13,19-20H,14-17H2,1-3H3;2*1-10,16-17,22,26,28,31H,11-14H2;1-10,16-17,22,28H,11-14H2;5-10,12-13H,1-4H3;6-10H,1-5H2/t;26-;;;;/m.1..../s1.

What are the key properties of (4-bromophenyl)-cyclohexylmethanone;tert-butyl 4-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperazine-1-carboxylate;4-[6-[4-[hydroxy(piperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-[(S)-hydroxy(piperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperidine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzonitrile?

(4-bromophenyl)-cyclohexylmethanone;tert-butyl 4-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperazine-1-carboxylate;4-[6-[4-[hydroxy(piperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-[(S)-hydroxy(piperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperidine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzonitrile has a molecular weight of 2343.47 g/mol, XLogP of 26.49, 19 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (4-bromophenyl)-cyclohexylmethanone;tert-butyl 4-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperazine-1-carboxylate;4-[6-[4-[hydroxy(piperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-[(S)-hydroxy(piperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperidine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzonitrile is sourced from PubChem (CID 161115482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).