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

C27H25ClFN7O3S — CID 137371034

IUPACN-[5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide
SMILESCc1ncc(-c2ccc3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3n2)cc1NS(=O)(=O)CCN1CCOCC1
InChIInChI=1S/C27H25ClFN7O3S/c1-17-25(35-40(37,38)11-8-36-6-9-39-10-7-36)12-18(15-31-17)23-4-5-24-27(34-23)26(19(14-30)16-32-24)33-20-2-3-22(29)21(28)13-20/h2-5,12-13,15-16,35H,6-11H2,1H3,(H,32,33)
InChIKeyZOISIISDKOSXBO-UHFFFAOYSA-N
MW582.06 g/mol
LogP4.48
Rot. Bonds8

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

N-[5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide (PubChem CID 137371034) has the molecular formula C27H25ClFN7O3S and a molecular weight of 582.06 g/mol. Its IUPAC name is N-[5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-[5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide
PubChem CID137371034
Molecular FormulaC27H25ClFN7O3S
Molecular Weight582.06 g/mol
Exact Mass581.14
IUPAC NameN-[5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide
SMILESCc1ncc(-c2ccc3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3n2)cc1NS(=O)(=O)CCN1CCOCC1
InChIInChI=1S/C27H25ClFN7O3S/c1-17-25(35-40(37,38)11-8-36-6-9-39-10-7-36)12-18(15-31-17)23-4-5-24-27(34-23)26(19(14-30)16-32-24)33-20-2-3-22(29)21(28)13-20/h2-5,12-13,15-16,35H,6-11H2,1H3,(H,32,33)
InChIKeyZOISIISDKOSXBO-UHFFFAOYSA-N
XLogP4.48
TPSA133.13 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.06
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Launch Full Analysis

Related Compounds

N-[2-amino-5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide
CID 137370642
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]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide
CID 137371064
N-[5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 137371140
6-amino-4-(3-chloro-4-fluoroanilino)-7-(3-methyl-3-morpholin-4-ylbut-1-ynyl)quinoline-3-carbonitrile
CID 163562453
N-[2-chloro-5-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide
CID 121427590
4-(3-chloro-4-fluoroanilino)-6-ethylquinoline-3-carbonitrile;hydrochloride
CID 45283835
N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]-2-morpholin-4-ylethanesulfonamide;6-chloropyrido[3,2-d]pyrimidin-4-amine;N-[3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-morpholin-4-ylethanesulfonamide
CID 159715133
8-chloro-4-(3-chloro-4-fluoroanilino)-6-[[[1-(2-morpholin-4-ylethyl)triazol-4-yl]-(1,3-thiazol-4-yl)methyl]amino]quinoline-3-carbonitrile
CID 134196326
4-(3-chloro-4-fluoroanilino)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-3-carbonitrile
CID 166596616
N-(2-chloro-5-methyl-3-pyridinyl)-2-morpholin-4-ylethanesulfonamide
CID 121427558
N-[5-[4-(3-chloro-4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanesulfonamide
CID 137370841

Frequently Asked Questions

What is the IUPAC name of N-[5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide?
The IUPAC name of N-[5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide (CID 137371034) is N-[5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide.
What is the SMILES notation for N-[5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide?
The canonical SMILES for N-[5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide is Cc1ncc(-c2ccc3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3n2)cc1NS(=O)(=O)CCN1CCOCC1.
What is the InChIKey of N-[5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide?
The InChIKey is ZOISIISDKOSXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClFN7O3S/c1-17-25(35-40(37,38)11-8-36-6-9-39-10-7-36)12-18(15-31-17)23-4-5-24-27(34-23)26(19(14-30)16-32-24)33-20-2-3-22(29)21(28)13-20/h2-5,12-13,15-16,35H,6-11H2,1H3,(H,32,33).
What are the key properties of N-[5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide?
N-[5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide has a molecular weight of 582.06 g/mol, XLogP of 4.48, 8 rotatable bonds, 2 hydrogen bond donors, and 9 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]-2-methyl-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide is sourced from PubChem (CID 137371034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).