N-[3-[5-[6-[4-[4-amino-3-[2-cyano-5-[6-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-2-cyanophenyl]-1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide

C84H71F3N16O4 — CID 154023149

About N-[3-[5-[6-[4-[4-amino-3-[2-cyano-5-[6-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-2-cyanophenyl]-1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide

N-[3-[5-[6-[4-[4-amino-3-[2-cyano-5-[6-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-2-cyanophenyl]-1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide (PubChem CID 154023149) has the molecular formula C84H71F3N16O4 and a molecular weight of 1425.59 g/mol. Its IUPAC name is N-[3-[5-[6-[4-[4-amino-3-[2-cyano-5-[6-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-2-cyanophenyl]-1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

• Compound Name: N-[3-[5-[6-[4-[4-amino-3-[2-cyano-5-[6-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-2-cyanophenyl]-1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
• PubChem CID: 154023149
• Molecular Formula: C84H71F3N16O4
• Molecular Weight: 1425.59 g/mol
• Exact Mass: 1424.58
• IUPAC Name: N-[3-[5-[6-[4-[4-amino-3-[2-cyano-5-[6-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-2-cyanophenyl]-1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
• SMILES: N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCC(NC(=O)C(F)(F)F)C(c6cc(-c7cnc8ccc(-c9ccc(C(=O)N%10CCC(N)C(c%11cc(-c%12cnc%13ccc(-c%14ccc(C(=O)N%15CCN(C%16CCNCC%16)CC%15)cc%14)cn%12%13)ccc%11C#N)C%10)cc9)cn78)ccc6C#N)C5)cc4)cn23)cc1
• InChI: InChI=1S/C84H71F3N16O4/c85-84(86,87)83(107)96-73-30-34-100(82(106)59-15-9-54(10-16-59)64-21-24-77-93-44-74(101(77)47-64)56-3-1-52(41-88)2-4-56)51-71(73)69-40-61(18-20-63(69)43-90)76-46-95-79-26-23-66(49-103(76)79)55-7-13-58(14-8-55)81(105)99-33-29-72(91)70(50-99)68-39-60(17-19-62(68)42-89)75-45-94-78-25-22-65(48-102(75)78)53-5-11-57(12-6-53)80(104)98-37-35-97(36-38-98)67-27-31-92-32-28-67/h1-26,39-40,44-49,67,70-73,92H,27-38,50-51,91H2,(H,96,107)
• InChIKey: ONDKIVHXGPASNU-UHFFFAOYSA-N
• XLogP: 12.39
• TPSA: 254.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1425.59
LogP ≤ 5	12.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[6-[4-[4-amino-3-[2-cyano-5-[6-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-2-cyanophenyl]-1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide?

The IUPAC name of N-[3-[5-[6-[4-[4-amino-3-[2-cyano-5-[6-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-2-cyanophenyl]-1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide (CID 154023149) is N-[3-[5-[6-[4-[4-amino-3-[2-cyano-5-[6-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-2-cyanophenyl]-1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide.

What is the SMILES notation for N-[3-[5-[6-[4-[4-amino-3-[2-cyano-5-[6-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-2-cyanophenyl]-1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide?

The canonical SMILES for N-[3-[5-[6-[4-[4-amino-3-[2-cyano-5-[6-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-2-cyanophenyl]-1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide is N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCC(NC(=O)C(F)(F)F)C(c6cc(-c7cnc8ccc(-c9ccc(C(=O)N%10CCC(N)C(c%11cc(-c%12cnc%13ccc(-c%14ccc(C(=O)N%15CCN(C%16CCNCC%16)CC%15)cc%14)cn%12%13)ccc%11C#N)C%10)cc9)cn78)ccc6C#N)C5)cc4)cn23)cc1.

What is the InChIKey of N-[3-[5-[6-[4-[4-amino-3-[2-cyano-5-[6-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-2-cyanophenyl]-1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide?

The InChIKey is ONDKIVHXGPASNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H71F3N16O4/c85-84(86,87)83(107)96-73-30-34-100(82(106)59-15-9-54(10-16-59)64-21-24-77-93-44-74(101(77)47-64)56-3-1-52(41-88)2-4-56)51-71(73)69-40-61(18-20-63(69)43-90)76-46-95-79-26-23-66(49-103(76)79)55-7-13-58(14-8-55)81(105)99-33-29-72(91)70(50-99)68-39-60(17-19-62(68)42-89)75-45-94-78-25-22-65(48-102(75)78)53-5-11-57(12-6-53)80(104)98-37-35-97(36-38-98)67-27-31-92-32-28-67/h1-26,39-40,44-49,67,70-73,92H,27-38,50-51,91H2,(H,96,107).

What are the key properties of N-[3-[5-[6-[4-[4-amino-3-[2-cyano-5-[6-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-2-cyanophenyl]-1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide?

N-[3-[5-[6-[4-[4-amino-3-[2-cyano-5-[6-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-2-cyanophenyl]-1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide has a molecular weight of 1425.59 g/mol, XLogP of 12.39, 13 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-[6-[4-[4-amino-3-[2-cyano-5-[6-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-2-cyanophenyl]-1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 154023149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).