N,2-dimethyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid

C49H43F6N7O5 — CID 161066725

IUPACN,2-dimethyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid
SMILESCNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4ccccc4)cn23)cc1C.Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4ccccc4)cn23)ccc1C(=O)O
InChIInChI=1S/C25H23F3N4O2.C24H20F3N3O3/c1-16-12-17(8-9-20(16)24(33)29-2)22-14-31-23-21(30-11-10-25(26,27)28)13-19(15-32(22)23)34-18-6-4-3-5-7-18;1-15-11-16(7-8-19(15)23(31)32)21-13-29-22-20(28-10-9-24(25,26)27)12-18(14-30(21)22)33-17-5-3-2-4-6-17/h3-9,12-15,30H,10-11H2,1-2H3,(H,29,33);2-8,11-14,28H,9-10H2,1H3,(H,31,32)
InChIKeyUECRNNPELVKTJO-UHFFFAOYSA-N
MW923.91 g/mol
LogP11.99
Rot. Bonds14

About N,2-dimethyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid

N,2-dimethyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid (PubChem CID 161066725) has the molecular formula C49H43F6N7O5 and a molecular weight of 923.91 g/mol. Its IUPAC name is N,2-dimethyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid.

Molecular Properties

Compound NameN,2-dimethyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid
PubChem CID161066725
Molecular FormulaC49H43F6N7O5
Molecular Weight923.91 g/mol
Exact Mass923.32
IUPAC NameN,2-dimethyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid
SMILESCNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4ccccc4)cn23)cc1C.Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4ccccc4)cn23)ccc1C(=O)O
InChIInChI=1S/C25H23F3N4O2.C24H20F3N3O3/c1-16-12-17(8-9-20(16)24(33)29-2)22-14-31-23-21(30-11-10-25(26,27)28)13-19(15-32(22)23)34-18-6-4-3-5-7-18;1-15-11-16(7-8-19(15)23(31)32)21-13-29-22-20(28-10-9-24(25,26)27)12-18(14-30(21)22)33-17-5-3-2-4-6-17/h3-9,12-15,30H,10-11H2,1-2H3,(H,29,33);2-8,11-14,28H,9-10H2,1H3,(H,31,32)
InChIKeyUECRNNPELVKTJO-UHFFFAOYSA-N
XLogP11.99
TPSA143.52 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.91
LogP ≤ 511.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze N,2-dimethyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid?
The IUPAC name of N,2-dimethyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid (CID 161066725) is N,2-dimethyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid.
What is the SMILES notation for N,2-dimethyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid?
The canonical SMILES for N,2-dimethyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid is CNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4ccccc4)cn23)cc1C.Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4ccccc4)cn23)ccc1C(=O)O.
What is the InChIKey of N,2-dimethyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid?
The InChIKey is UECRNNPELVKTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O2.C24H20F3N3O3/c1-16-12-17(8-9-20(16)24(33)29-2)22-14-31-23-21(30-11-10-25(26,27)28)13-19(15-32(22)23)34-18-6-4-3-5-7-18;1-15-11-16(7-8-19(15)23(31)32)21-13-29-22-20(28-10-9-24(25,26)27)12-18(14-30(21)22)33-17-5-3-2-4-6-17/h3-9,12-15,30H,10-11H2,1-2H3,(H,29,33);2-8,11-14,28H,9-10H2,1H3,(H,31,32).
What are the key properties of N,2-dimethyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid?
N,2-dimethyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid has a molecular weight of 923.91 g/mol, XLogP of 11.99, 14 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid is sourced from PubChem (CID 161066725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).