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

C49H43ClF3N7O3 — CID 163202217

IUPAC6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(4-phenoxyphenyl)quinazolin-4-amine
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.c1ccc(Oc2ccc(Nc3ncnc4ccccc34)cc2)cc1
InChIInChI=1S/C29H28ClF3N4O2.C20H15N3O/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;1-2-6-16(7-3-1)24-17-12-10-15(11-13-17)23-20-18-8-4-5-9-19(18)21-14-22-20/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-14H,(H,21,22,23)
InChIKeyRWYMTXNNECPOSV-UHFFFAOYSA-N
MW870.38 g/mol
LogP11.93
Rot. Bonds11

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-phenoxyphenyl)quinazolin-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-phenoxyphenyl)quinazolin-4-amine (PubChem CID 163202217) has the molecular formula C49H43ClF3N7O3 and a molecular weight of 870.38 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-phenoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(4-phenoxyphenyl)quinazolin-4-amine
PubChem CID163202217
Molecular FormulaC49H43ClF3N7O3
Molecular Weight870.38 g/mol
Exact Mass869.31
IUPAC Name6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(4-phenoxyphenyl)quinazolin-4-amine
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.c1ccc(Oc2ccc(Nc3ncnc4ccccc34)cc2)cc1
InChIInChI=1S/C29H28ClF3N4O2.C20H15N3O/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;1-2-6-16(7-3-1)24-17-12-10-15(11-13-17)23-20-18-8-4-5-9-19(18)21-14-22-20/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-14H,(H,21,22,23)
InChIKeyRWYMTXNNECPOSV-UHFFFAOYSA-N
XLogP11.93
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.38
LogP ≤ 511.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(4-phenoxyphenyl)quinazolin-4-amine with MolForge

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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-phenoxyphenyl)quinazolin-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-phenoxyphenyl)quinazolin-4-amine (CID 163202217) 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-phenoxyphenyl)quinazolin-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-phenoxyphenyl)quinazolin-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-phenoxyphenyl)quinazolin-4-amine is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.c1ccc(Oc2ccc(Nc3ncnc4ccccc34)cc2)cc1.
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-phenoxyphenyl)quinazolin-4-amine?
The InChIKey is RWYMTXNNECPOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O2.C20H15N3O/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;1-2-6-16(7-3-1)24-17-12-10-15(11-13-17)23-20-18-8-4-5-9-19(18)21-14-22-20/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-14H,(H,21,22,23).
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-phenoxyphenyl)quinazolin-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-phenoxyphenyl)quinazolin-4-amine has a molecular weight of 870.38 g/mol, XLogP of 11.93, 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-phenoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 163202217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).