1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-3-pyridinyl)ethanone

C58H51Cl3F2N12O3 — CID 158713578

IUPAC1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-3-pyridinyl)ethanone
SMILESCN(c1cncnc1)c1cc(Cl)cc(C(=O)Cc2ccc(C(C)(F)F)cn2)c1.Cc1ccnc(CC(=O)c2cc(Cl)cc(N(C)c3cncnc3)c2)c1.Cc1cncc(CC(=O)c2cc(Cl)cc(N(C)c3cncnc3)c2)c1
InChIInChI=1S/C20H17ClF2N4O.2C19H17ClN4O/c1-20(22,23)14-3-4-16(26-9-14)8-19(28)13-5-15(21)7-17(6-13)27(2)18-10-24-12-25-11-18;1-13-3-14(9-21-8-13)4-19(25)15-5-16(20)7-17(6-15)24(2)18-10-22-12-23-11-18;1-13-3-4-23-16(5-13)9-19(25)14-6-15(20)8-17(7-14)24(2)18-10-21-12-22-11-18/h3-7,9-12H,8H2,1-2H3;3,5-12H,4H2,1-2H3;3-8,10-12H,9H2,1-2H3
InChIKeyIJAJZMYDVHQDKN-UHFFFAOYSA-N
MW1108.48 g/mol
LogP12.88
Rot. Bonds16

About 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-3-pyridinyl)ethanone

1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-3-pyridinyl)ethanone (PubChem CID 158713578) has the molecular formula C58H51Cl3F2N12O3 and a molecular weight of 1108.48 g/mol. Its IUPAC name is 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-3-pyridinyl)ethanone
PubChem CID158713578
Molecular FormulaC58H51Cl3F2N12O3
Molecular Weight1108.48 g/mol
Exact Mass1106.32
IUPAC Name1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-3-pyridinyl)ethanone
SMILESCN(c1cncnc1)c1cc(Cl)cc(C(=O)Cc2ccc(C(C)(F)F)cn2)c1.Cc1ccnc(CC(=O)c2cc(Cl)cc(N(C)c3cncnc3)c2)c1.Cc1cncc(CC(=O)c2cc(Cl)cc(N(C)c3cncnc3)c2)c1
InChIInChI=1S/C20H17ClF2N4O.2C19H17ClN4O/c1-20(22,23)14-3-4-16(26-9-14)8-19(28)13-5-15(21)7-17(6-13)27(2)18-10-24-12-25-11-18;1-13-3-14(9-21-8-13)4-19(25)15-5-16(20)7-17(6-15)24(2)18-10-22-12-23-11-18;1-13-3-4-23-16(5-13)9-19(25)14-6-15(20)8-17(7-14)24(2)18-10-21-12-22-11-18/h3-7,9-12H,8H2,1-2H3;3,5-12H,4H2,1-2H3;3-8,10-12H,9H2,1-2H3
InChIKeyIJAJZMYDVHQDKN-UHFFFAOYSA-N
XLogP12.88
TPSA176.94 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001108.48
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-3-pyridinyl)ethanone 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

4-[2-(4-Benzylpiperazin-1-yl)pyrimidin-4-yl]benzamide;4-[2-[(3,5-dichlorophenyl)methylamino]pyrimidin-4-yl]benzamide;4-[2-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]benzamide
CID 18469967
2-(6-Chloro-2-pyridinyl)-1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone
CID 58318730
1-[3-Chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 58318735
2-(4-Chloro-2-pyridinyl)-1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone
CID 58318782
1-[3-Chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-fluoro-2-pyridinyl)ethanone
CID 58318791
2-(4-Chloro-2-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone
CID 58318796
2-(5-Chloro-2-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone
CID 58318825
1-[3-Chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone
CID 58318858
[4-[2-Amino-5-[2-[4-[4-[4-[2-amino-5-[2-[4-[4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-3-fluorophenyl]-6-ethylpyrimidin-5-yl]ethynyl]-6-methyl-3-pyridinyl]piperidine-1-carbonyl]-3-chlorophenyl]-6-ethylpyrimidin-5-yl]ethynyl]-3-pyridinyl]piperidin-1-yl]-[4-[5-[2-(6-amino-2-methyl-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-fluorophenyl]methanone
CID 123896323
N-tert-butyl-2-(4-chlorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-propan-2-ylpyrimidin-5-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 129078651
N-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-ethynylbenzamide;N-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;methane;3-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide
CID 157060273
9-(2-Aminopyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-chloro-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
CID 157140695

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-3-pyridinyl)ethanone?
The IUPAC name of 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-3-pyridinyl)ethanone (CID 158713578) is 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-3-pyridinyl)ethanone is CN(c1cncnc1)c1cc(Cl)cc(C(=O)Cc2ccc(C(C)(F)F)cn2)c1.Cc1ccnc(CC(=O)c2cc(Cl)cc(N(C)c3cncnc3)c2)c1.Cc1cncc(CC(=O)c2cc(Cl)cc(N(C)c3cncnc3)c2)c1.
What is the InChIKey of 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-3-pyridinyl)ethanone?
The InChIKey is IJAJZMYDVHQDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF2N4O.2C19H17ClN4O/c1-20(22,23)14-3-4-16(26-9-14)8-19(28)13-5-15(21)7-17(6-13)27(2)18-10-24-12-25-11-18;1-13-3-14(9-21-8-13)4-19(25)15-5-16(20)7-17(6-15)24(2)18-10-22-12-23-11-18;1-13-3-4-23-16(5-13)9-19(25)14-6-15(20)8-17(7-14)24(2)18-10-21-12-22-11-18/h3-7,9-12H,8H2,1-2H3;3,5-12H,4H2,1-2H3;3-8,10-12H,9H2,1-2H3.
What are the key properties of 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-3-pyridinyl)ethanone?
1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-3-pyridinyl)ethanone has a molecular weight of 1108.48 g/mol, XLogP of 12.88, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 158713578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).