N-(5-bromo-2-pyridinyl)-7-fluoroquinazolin-4-amine;6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C42H36BrClF4N8O2 — CID 163201610

About N-(5-bromo-2-pyridinyl)-7-fluoroquinazolin-4-amine;6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

N-(5-bromo-2-pyridinyl)-7-fluoroquinazolin-4-amine;6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 163201610) has the molecular formula C42H36BrClF4N8O2 and a molecular weight of 876.15 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-7-fluoroquinazolin-4-amine;6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(5-bromo-2-pyridinyl)-7-fluoroquinazolin-4-amine;6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 163201610
• Molecular Formula: C42H36BrClF4N8O2
• Molecular Weight: 876.15 g/mol
• Exact Mass: 874.18
• IUPAC Name: N-(5-bromo-2-pyridinyl)-7-fluoroquinazolin-4-amine;6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.Fc1ccc2c(Nc3ccc(Br)cn3)ncnc2c1
• InChI: InChI=1S/C29H28ClF3N4O2.C13H8BrFN4/c1-2-25-27(37-18-22(30)7-12-26(37)35-25)28(38)34-17-19-3-8-23(9-4-19)36-15-13-21(14-16-36)20-5-10-24(11-6-20)39-29(31,32)33;14-8-1-4-12(16-6-8)19-13-10-3-2-9(15)5-11(10)17-7-18-13/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-7H,(H,16,17,18,19)
• InChIKey: XDHGDCVJXSGWGU-UHFFFAOYSA-N
• XLogP: 10.43
• TPSA: 109.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	876.15
LogP ≤ 5	10.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-7-fluoroquinazolin-4-amine;6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-(5-bromo-2-pyridinyl)-7-fluoroquinazolin-4-amine;6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 163201610) is N-(5-bromo-2-pyridinyl)-7-fluoroquinazolin-4-amine;6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-(5-bromo-2-pyridinyl)-7-fluoroquinazolin-4-amine;6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-(5-bromo-2-pyridinyl)-7-fluoroquinazolin-4-amine;6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.Fc1ccc2c(Nc3ccc(Br)cn3)ncnc2c1.

What is the InChIKey of N-(5-bromo-2-pyridinyl)-7-fluoroquinazolin-4-amine;6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is XDHGDCVJXSGWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O2.C13H8BrFN4/c1-2-25-27(37-18-22(30)7-12-26(37)35-25)28(38)34-17-19-3-8-23(9-4-19)36-15-13-21(14-16-36)20-5-10-24(11-6-20)39-29(31,32)33;14-8-1-4-12(16-6-8)19-13-10-3-2-9(15)5-11(10)17-7-18-13/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-7H,(H,16,17,18,19).

What are the key properties of N-(5-bromo-2-pyridinyl)-7-fluoroquinazolin-4-amine;6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

N-(5-bromo-2-pyridinyl)-7-fluoroquinazolin-4-amine;6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 876.15 g/mol, XLogP of 10.43, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-bromo-2-pyridinyl)-7-fluoroquinazolin-4-amine;6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 163201610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).