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

About 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[4-(3,4-dichlorophenoxy)phenyl]-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-[4-(3,4-dichlorophenoxy)phenyl]-7-fluoroquinazolin-4-amine (PubChem CID 163201649) has the molecular formula C49H40Cl3F4N7O3 and a molecular weight of 957.26 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[4-(3,4-dichlorophenoxy)phenyl]-7-fluoroquinazolin-4-amine.

Molecular Properties

Compound Name	6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[4-(3,4-dichlorophenoxy)phenyl]-7-fluoroquinazolin-4-amine
PubChem CID	163201649
Molecular Formula	C49H40Cl3F4N7O3
Molecular Weight	957.26 g/mol
Exact Mass	955.22
IUPAC Name	6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[4-(3,4-dichlorophenoxy)phenyl]-7-fluoroquinazolin-4-amine
SMILES	CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.Fc1ccc2c(Nc3ccc(Oc4ccc(Cl)c(Cl)c4)cc3)ncnc2c1
InChI	InChI=1S/C29H28ClF3N4O2.C20H12Cl2FN3O/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;21-17-8-6-15(10-18(17)22)27-14-4-2-13(3-5-14)26-20-16-7-1-12(23)9-19(16)24-11-25-20/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-11H,(H,24,25,26)
InChIKey	LGWUGPGUNBSSTR-UHFFFAOYSA-N
XLogP	13.37
TPSA	105.91 Å²
H-Bond Donors	2
H-Bond Acceptors	9
Rotatable Bonds	11
Heavy Atoms	66
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	957.26
LogP ≤ 5	13.37
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'}

Related Compounds

Frequently Asked Questions

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

The IUPAC name of 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[4-(3,4-dichlorophenoxy)phenyl]-7-fluoroquinazolin-4-amine (CID 163201649) is 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[4-(3,4-dichlorophenoxy)phenyl]-7-fluoroquinazolin-4-amine.

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

The canonical SMILES for 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[4-(3,4-dichlorophenoxy)phenyl]-7-fluoroquinazolin-4-amine is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.Fc1ccc2c(Nc3ccc(Oc4ccc(Cl)c(Cl)c4)cc3)ncnc2c1.

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

The InChIKey is LGWUGPGUNBSSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O2.C20H12Cl2FN3O/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;21-17-8-6-15(10-18(17)22)27-14-4-2-13(3-5-14)26-20-16-7-1-12(23)9-19(16)24-11-25-20/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-11H,(H,24,25,26).

What are the key properties of 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[4-(3,4-dichlorophenoxy)phenyl]-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-[4-(3,4-dichlorophenoxy)phenyl]-7-fluoroquinazolin-4-amine has a molecular weight of 957.26 g/mol, XLogP of 13.37, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[4-(3,4-dichlorophenoxy)phenyl]-7-fluoroquinazolin-4-amine is sourced from PubChem (CID 163201649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).