1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one

C49H47F7N6O2 — CID 163675426

IUPAC1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESCc1ccc2nc(C)c(C(=O)CCc3ccc(C(F)(F)F)cc3)n2c1.Cc1ccn2c(C(=O)CCc3ccc(N4CCCN(c5ccc(C(F)(F)F)cc5)CC4)c(F)c3)c(C)nc2c1
InChIInChI=1S/C30H30F4N4O.C19H17F3N2O/c1-20-12-15-38-28(18-20)35-21(2)29(38)27(39)11-5-22-4-10-26(25(31)19-22)37-14-3-13-36(16-17-37)24-8-6-23(7-9-24)30(32,33)34;1-12-3-10-17-23-13(2)18(24(17)11-12)16(25)9-6-14-4-7-15(8-5-14)19(20,21)22/h4,6-10,12,15,18-19H,3,5,11,13-14,16-17H2,1-2H3;3-5,7-8,10-11H,6,9H2,1-2H3
InChIKeyJGGLZNXZSLDNDN-UHFFFAOYSA-N
MW884.94 g/mol
LogP11.43
Rot. Bonds10

About 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one

1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 163675426) has the molecular formula C49H47F7N6O2 and a molecular weight of 884.94 g/mol. Its IUPAC name is 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
PubChem CID163675426
Molecular FormulaC49H47F7N6O2
Molecular Weight884.94 g/mol
Exact Mass884.36
IUPAC Name1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESCc1ccc2nc(C)c(C(=O)CCc3ccc(C(F)(F)F)cc3)n2c1.Cc1ccn2c(C(=O)CCc3ccc(N4CCCN(c5ccc(C(F)(F)F)cc5)CC4)c(F)c3)c(C)nc2c1
InChIInChI=1S/C30H30F4N4O.C19H17F3N2O/c1-20-12-15-38-28(18-20)35-21(2)29(38)27(39)11-5-22-4-10-26(25(31)19-22)37-14-3-13-36(16-17-37)24-8-6-23(7-9-24)30(32,33)34;1-12-3-10-17-23-13(2)18(24(17)11-12)16(25)9-6-14-4-7-15(8-5-14)19(20,21)22/h4,6-10,12,15,18-19H,3,5,11,13-14,16-17H2,1-2H3;3-5,7-8,10-11H,6,9H2,1-2H3
InChIKeyJGGLZNXZSLDNDN-UHFFFAOYSA-N
XLogP11.43
TPSA75.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.94
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

(2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo(1,2-a)Pyridin-3-Yl)-Phenyl-Methanone
CID 5289179
Aminoimidazo[1,2-a]pyridine deriv. 14
CID 5330614
Aminoimidazo[1,2-a]pyridine deriv. 25
CID 5330625
(2E)-3-{2-amino-3-[(2,6-difluorophenyl)carbonyl]imidazo[1,2-a]pyridin-6-yl}-3-(2,6-difluorophenyl)prop-2-enenitrile
CID 5330626
Aminoimidazo[1,2-a]pyridine deriv. 28
CID 5330627
Aminoimidazo[1,2-a]pyridine deriv. 27
CID 5330642
6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide
CID 10602310
6-(4-Fluoro-phenyl)-3-(4-(2-methyl-imidazo[4,5-c]pyridin-3-ylmethyl)-benzoyl)-indole-1-carboxylic acid dimethylamide
CID 10602311
5-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide
CID 10649919
CID 44536150
CID 44536150
[4-(Azepane-1-carbonyl)phenyl]-(6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone
CID 46846868
1-[(3,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-2-[6-[4-(trifluoromethyl)phenyl]pyridin-3-yl]-8H-imidazo[2,1-b]purin-4-one
CID 57402932

Frequently Asked Questions

What is the IUPAC name of 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one (CID 163675426) is 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one is Cc1ccc2nc(C)c(C(=O)CCc3ccc(C(F)(F)F)cc3)n2c1.Cc1ccn2c(C(=O)CCc3ccc(N4CCCN(c5ccc(C(F)(F)F)cc5)CC4)c(F)c3)c(C)nc2c1.
What is the InChIKey of 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is JGGLZNXZSLDNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F4N4O.C19H17F3N2O/c1-20-12-15-38-28(18-20)35-21(2)29(38)27(39)11-5-22-4-10-26(25(31)19-22)37-14-3-13-36(16-17-37)24-8-6-23(7-9-24)30(32,33)34;1-12-3-10-17-23-13(2)18(24(17)11-12)16(25)9-6-14-4-7-15(8-5-14)19(20,21)22/h4,6-10,12,15,18-19H,3,5,11,13-14,16-17H2,1-2H3;3-5,7-8,10-11H,6,9H2,1-2H3.
What are the key properties of 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 884.94 g/mol, XLogP of 11.43, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 163675426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).