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

C25H25ClFN7O3S — CID 137370642

IUPACN-[2-amino-5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide
SMILESNc1ncc(-c2ccc3nccc(Nc4ccc(F)c(Cl)c4)c3n2)cc1NS(=O)(=O)CCN1CCOCC1
InChIInChI=1S/C25H25ClFN7O3S/c26-18-14-17(1-2-19(18)27)31-22-5-6-29-21-4-3-20(32-24(21)22)16-13-23(25(28)30-15-16)33-38(35,36)12-9-34-7-10-37-11-8-34/h1-6,13-15,33H,7-12H2,(H2,28,30)(H,29,31)
InChIKeyCHCCVUMBCORIHC-UHFFFAOYSA-N
MW558.04 g/mol
LogP3.88
Rot. Bonds8

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

N-[2-amino-5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide (PubChem CID 137370642) has the molecular formula C25H25ClFN7O3S and a molecular weight of 558.04 g/mol. Its IUPAC name is N-[2-amino-5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-[2-amino-5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide
PubChem CID137370642
Molecular FormulaC25H25ClFN7O3S
Molecular Weight558.04 g/mol
Exact Mass557.14
IUPAC NameN-[2-amino-5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide
SMILESNc1ncc(-c2ccc3nccc(Nc4ccc(F)c(Cl)c4)c3n2)cc1NS(=O)(=O)CCN1CCOCC1
InChIInChI=1S/C25H25ClFN7O3S/c26-18-14-17(1-2-19(18)27)31-22-5-6-29-21-4-3-20(32-24(21)22)16-13-23(25(28)30-15-16)33-38(35,36)12-9-34-7-10-37-11-8-34/h1-6,13-15,33H,7-12H2,(H2,28,30)(H,29,31)
InChIKeyCHCCVUMBCORIHC-UHFFFAOYSA-N
XLogP3.88
TPSA135.36 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.04
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

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-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 137371140
N-[2-chloro-5-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide
CID 121427590
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
N-[2-chloro-5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-3-pyridinyl]methanesulfonamide
CID 137370797
N-[3-[5-amino-6-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-yl]phenyl]-2-morpholin-4-ylethanesulfonamide
CID 58886192
N-[5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide
CID 137371064
N-(3-chloro-4-fluorophenyl)-6-[5-(2-morpholin-4-ylethylsulfonylmethyl)-3-pyridinyl]quinazolin-4-amine
CID 148597163
N-[5-[4-(3-chloro-4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanesulfonamide
CID 137370841
5-(2-aminopyrimidin-5-yl)-N-(3-chloro-4-fluorophenyl)-4-morpholin-4-ylpyrimidin-2-amine
CID 68647409
6-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109344634
N-(3-chloro-4-fluorophenyl)-6-fluoro-7-(4-morpholin-4-ylbutyl)pyrido[3,2-d]pyrimidin-4-amine
CID 10812706

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide?
The IUPAC name of N-[2-amino-5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide (CID 137370642) is N-[2-amino-5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide.
What is the SMILES notation for N-[2-amino-5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide?
The canonical SMILES for N-[2-amino-5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide is Nc1ncc(-c2ccc3nccc(Nc4ccc(F)c(Cl)c4)c3n2)cc1NS(=O)(=O)CCN1CCOCC1.
What is the InChIKey of N-[2-amino-5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide?
The InChIKey is CHCCVUMBCORIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClFN7O3S/c26-18-14-17(1-2-19(18)27)31-22-5-6-29-21-4-3-20(32-24(21)22)16-13-23(25(28)30-15-16)33-38(35,36)12-9-34-7-10-37-11-8-34/h1-6,13-15,33H,7-12H2,(H2,28,30)(H,29,31).
What are the key properties of N-[2-amino-5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide?
N-[2-amino-5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide has a molecular weight of 558.04 g/mol, XLogP of 3.88, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide is sourced from PubChem (CID 137370642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).