N-[2-(4-tert-butylphenyl)ethyl]furo[3,2-d]pyrimidin-4-amine;6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C47H49ClF3N7O3 — CID 163202142

About N-[2-(4-tert-butylphenyl)ethyl]furo[3,2-d]pyrimidin-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-[2-(4-tert-butylphenyl)ethyl]furo[3,2-d]pyrimidin-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 163202142) has the molecular formula C47H49ClF3N7O3 and a molecular weight of 852.40 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)ethyl]furo[3,2-d]pyrimidin-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-[2-(4-tert-butylphenyl)ethyl]furo[3,2-d]pyrimidin-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: 163202142
• Molecular Formula: C47H49ClF3N7O3
• Molecular Weight: 852.40 g/mol
• Exact Mass: 851.35
• IUPAC Name: N-[2-(4-tert-butylphenyl)ethyl]furo[3,2-d]pyrimidin-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: CC(C)(C)c1ccc(CCNc2ncnc3ccoc23)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1
• InChI: InChI=1S/C29H28ClF3N4O2.C18H21N3O/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;1-18(2,3)14-6-4-13(5-7-14)8-10-19-17-16-15(9-11-22-16)20-12-21-17/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);4-7,9,11-12H,8,10H2,1-3H3,(H,19,20,21)
• InChIKey: CNKQAYOOUKKNBV-UHFFFAOYSA-N
• XLogP: 10.94
• TPSA: 109.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	852.40
LogP ≤ 5	10.94
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-[2-(4-tert-butylphenyl)ethyl]furo[3,2-d]pyrimidin-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-[2-(4-tert-butylphenyl)ethyl]furo[3,2-d]pyrimidin-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 163202142) is N-[2-(4-tert-butylphenyl)ethyl]furo[3,2-d]pyrimidin-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-[2-(4-tert-butylphenyl)ethyl]furo[3,2-d]pyrimidin-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-[2-(4-tert-butylphenyl)ethyl]furo[3,2-d]pyrimidin-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 CC(C)(C)c1ccc(CCNc2ncnc3ccoc23)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.

What is the InChIKey of N-[2-(4-tert-butylphenyl)ethyl]furo[3,2-d]pyrimidin-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 CNKQAYOOUKKNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O2.C18H21N3O/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;1-18(2,3)14-6-4-13(5-7-14)8-10-19-17-16-15(9-11-22-16)20-12-21-17/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);4-7,9,11-12H,8,10H2,1-3H3,(H,19,20,21).

What are the key properties of N-[2-(4-tert-butylphenyl)ethyl]furo[3,2-d]pyrimidin-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-[2-(4-tert-butylphenyl)ethyl]furo[3,2-d]pyrimidin-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 852.40 g/mol, XLogP of 10.94, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-tert-butylphenyl)ethyl]furo[3,2-d]pyrimidin-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 163202142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).