N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methoxypyrimidin-4-amine

C23H18ClF2N5O3S — CID 159402868

IUPACN-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methoxypyrimidin-4-amine
SMILESCOc1nccc(Nc2cc(-c3cnc(Cl)c(CS(=O)(=O)c4ccc(F)cc4F)c3C)ccn2)n1
InChIInChI=1S/C23H18ClF2N5O3S/c1-13-16(14-5-7-27-21(9-14)30-20-6-8-28-23(31-20)34-2)11-29-22(24)17(13)12-35(32,33)19-4-3-15(25)10-18(19)26/h3-11H,12H2,1-2H3,(H,27,28,30,31)
InChIKeyYTONWKXBZUUXQU-UHFFFAOYSA-N
MW517.95 g/mol
LogP4.90
Rot. Bonds7

About N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methoxypyrimidin-4-amine

N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methoxypyrimidin-4-amine (PubChem CID 159402868) has the molecular formula C23H18ClF2N5O3S and a molecular weight of 517.95 g/mol. Its IUPAC name is N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methoxypyrimidin-4-amine
PubChem CID159402868
Molecular FormulaC23H18ClF2N5O3S
Molecular Weight517.95 g/mol
Exact Mass517.08
IUPAC NameN-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methoxypyrimidin-4-amine
SMILESCOc1nccc(Nc2cc(-c3cnc(Cl)c(CS(=O)(=O)c4ccc(F)cc4F)c3C)ccn2)n1
InChIInChI=1S/C23H18ClF2N5O3S/c1-13-16(14-5-7-27-21(9-14)30-20-6-8-28-23(31-20)34-2)11-29-22(24)17(13)12-35(32,33)19-4-3-15(25)10-18(19)26/h3-11H,12H2,1-2H3,(H,27,28,30,31)
InChIKeyYTONWKXBZUUXQU-UHFFFAOYSA-N
XLogP4.90
TPSA106.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.95
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methoxypyrimidin-4-amine 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

3-(2-Methoxypyrimidin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 53311217
N-(5-(3-(4-Amino-6-methyl-1,3,5-triazin-2-YL)pyridin-2-ylamino)-2-chloropyridin-3-YL)-4-fluorobenzenesulfonamide
CID 59548448
5-[6-[2-(Benzenesulfonyl)propan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428457
N-Benzyl-6-((phenylsulfonyl)methyl)-2-(4-pyridinyl)-4-pyrimidinamine
CID 2769215
7-(3-ethylsulfonylpyridin-2-yl)-2-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 58972647
(3R)-3-[5-[(7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
CID 73670825
5-[2-Fluoro-4-[2-(3-methoxypropylsulfonyl)-3-pyridinyl]phenyl]pyrimidin-2-amine
CID 90312635
(3R,6R)-3-[5-[(7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-fluorophenyl]-6-fluoro-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
CID 117870471
N-{6-chloro-4-methyl-2'-[(2-methylpyrimidin-4-yl)amino]-3,4'-bipyridin-5-yl}-2,4-difluorobenzenesulfonamide
CID 118237918
N-{6-chloro-5'-fluoro-4-methyl-2'-[(2-methylpyrimidin-4-yl)amino]-3,4'-bipyridin-5-yl}-2,4-difluorobenzenesulfonamide
CID 118238015
N-[2-chloro-5-[2-[(2-methoxypyrimidin-4-yl)amino]-4-pyridinyl]-4-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 118249105
N-[2-chloro-5-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 118249202

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methoxypyrimidin-4-amine?
The IUPAC name of N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methoxypyrimidin-4-amine (CID 159402868) is N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methoxypyrimidin-4-amine?
The canonical SMILES for N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methoxypyrimidin-4-amine is COc1nccc(Nc2cc(-c3cnc(Cl)c(CS(=O)(=O)c4ccc(F)cc4F)c3C)ccn2)n1.
What is the InChIKey of N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methoxypyrimidin-4-amine?
The InChIKey is YTONWKXBZUUXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2N5O3S/c1-13-16(14-5-7-27-21(9-14)30-20-6-8-28-23(31-20)34-2)11-29-22(24)17(13)12-35(32,33)19-4-3-15(25)10-18(19)26/h3-11H,12H2,1-2H3,(H,27,28,30,31).
What are the key properties of N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methoxypyrimidin-4-amine?
N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methoxypyrimidin-4-amine has a molecular weight of 517.95 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methoxypyrimidin-4-amine is sourced from PubChem (CID 159402868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).