N-[5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide

C24H21ClFN7O2S — CID 137371064

IUPACN-[5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide
SMILESCN(C)CCS(=O)(=O)Nc1cncc(-c2ccc3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3n2)c1
InChIInChI=1S/C24H21ClFN7O2S/c1-33(2)7-8-36(34,35)32-18-9-15(12-28-14-18)21-5-6-22-24(31-21)23(16(11-27)13-29-22)30-17-3-4-20(26)19(25)10-17/h3-6,9-10,12-14,32H,7-8H2,1-2H3,(H,29,30)
InChIKeyACXVXWWASIWFMC-UHFFFAOYSA-N
MW526.00 g/mol
LogP4.40
Rot. Bonds8

About N-[5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide

N-[5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide (PubChem CID 137371064) has the molecular formula C24H21ClFN7O2S and a molecular weight of 526.00 g/mol. Its IUPAC name is N-[5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-[5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide
PubChem CID137371064
Molecular FormulaC24H21ClFN7O2S
Molecular Weight526.00 g/mol
Exact Mass525.11
IUPAC NameN-[5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide
SMILESCN(C)CCS(=O)(=O)Nc1cncc(-c2ccc3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3n2)c1
InChIInChI=1S/C24H21ClFN7O2S/c1-33(2)7-8-36(34,35)32-18-9-15(12-28-14-18)21-5-6-22-24(31-21)23(16(11-27)13-29-22)30-17-3-4-20(26)19(25)10-17/h3-6,9-10,12-14,32H,7-8H2,1-2H3,(H,29,30)
InChIKeyACXVXWWASIWFMC-UHFFFAOYSA-N
XLogP4.40
TPSA123.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.00
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide with MolForge

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Related Compounds

N-[2-chloro-5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-3-pyridinyl]methanesulfonamide
CID 137370797
N-[5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide
CID 137371034
N-[5-[4-(3-chloro-4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanesulfonamide
CID 137370841
4-(3-chloro-4-fluoroanilino)-6-ethylquinoline-3-carbonitrile;hydrochloride
CID 45283835
4-(3-chloro-4-fluoroanilino)-6-ethoxyquinoline-3-carbonitrile
CID 27655777
4-(3-chloro-4-fluoroanilino)-7-[2-(dimethylamino)ethylsulfanyl]-6-[1H-imidazol-5-yl(methyl)amino]quinoline-3-carbonitrile
CID 69259782
N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]-2-(dimethylamino)but-2-enamide
CID 141032657
4-(3-chloro-4-fluoroanilino)-6-[(4-cyanophenyl)methylamino]quinoline-3-carbonitrile
CID 69258656
N-[2-amino-5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide
CID 137370642
(E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
CID 6445562
4-(3-chloro-4-fluoroanilino)-6-[(pyridin-3-ylamino)methyl]-1,7-naphthyridine-3-carbonitrile
CID 73011300
(E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-hydroxyquinolin-6-yl]-4-[2-hydroxyethyl(methyl)amino]but-2-enamide
CID 136590770

Frequently Asked Questions

What is the IUPAC name of N-[5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide?
The IUPAC name of N-[5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide (CID 137371064) is N-[5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide.
What is the SMILES notation for N-[5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide?
The canonical SMILES for N-[5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide is CN(C)CCS(=O)(=O)Nc1cncc(-c2ccc3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3n2)c1.
What is the InChIKey of N-[5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide?
The InChIKey is ACXVXWWASIWFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN7O2S/c1-33(2)7-8-36(34,35)32-18-9-15(12-28-14-18)21-5-6-22-24(31-21)23(16(11-27)13-29-22)30-17-3-4-20(26)19(25)10-17/h3-6,9-10,12-14,32H,7-8H2,1-2H3,(H,29,30).
What are the key properties of N-[5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide?
N-[5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide has a molecular weight of 526.00 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide is sourced from PubChem (CID 137371064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).