N-[5-[4-[(3,5-difluoro-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide

C24H28F2N6O4S — CID 165113077

IUPACN-[5-[4-[(3,5-difluoro-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cnc2cc(N3CCOCC3)nc(OC3CCC(Nc4ncc(F)cc4F)CC3)c2c1
InChIInChI=1S/C24H28F2N6O4S/c1-37(33,34)31-17-11-19-21(27-14-17)12-22(32-6-8-35-9-7-32)30-24(19)36-18-4-2-16(3-5-18)29-23-20(26)10-15(25)13-28-23/h10-14,16,18,31H,2-9H2,1H3,(H,28,29)
InChIKeyFFVIHBZBUVQQOI-UHFFFAOYSA-N
MW534.59 g/mol
LogP3.31
Rot. Bonds7

About N-[5-[4-[(3,5-difluoro-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide

N-[5-[4-[(3,5-difluoro-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide (PubChem CID 165113077) has the molecular formula C24H28F2N6O4S and a molecular weight of 534.59 g/mol. Its IUPAC name is N-[5-[4-[(3,5-difluoro-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[4-[(3,5-difluoro-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide
PubChem CID165113077
Molecular FormulaC24H28F2N6O4S
Molecular Weight534.59 g/mol
Exact Mass534.19
IUPAC NameN-[5-[4-[(3,5-difluoro-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cnc2cc(N3CCOCC3)nc(OC3CCC(Nc4ncc(F)cc4F)CC3)c2c1
InChIInChI=1S/C24H28F2N6O4S/c1-37(33,34)31-17-11-19-21(27-14-17)12-22(32-6-8-35-9-7-32)30-24(19)36-18-4-2-16(3-5-18)29-23-20(26)10-15(25)13-28-23/h10-14,16,18,31H,2-9H2,1H3,(H,28,29)
InChIKeyFFVIHBZBUVQQOI-UHFFFAOYSA-N
XLogP3.31
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.59
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[(3,5-difluoro-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide?
The IUPAC name of N-[5-[4-[(3,5-difluoro-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide (CID 165113077) is N-[5-[4-[(3,5-difluoro-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[5-[4-[(3,5-difluoro-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide?
The canonical SMILES for N-[5-[4-[(3,5-difluoro-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide is CS(=O)(=O)Nc1cnc2cc(N3CCOCC3)nc(OC3CCC(Nc4ncc(F)cc4F)CC3)c2c1.
What is the InChIKey of N-[5-[4-[(3,5-difluoro-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide?
The InChIKey is FFVIHBZBUVQQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N6O4S/c1-37(33,34)31-17-11-19-21(27-14-17)12-22(32-6-8-35-9-7-32)30-24(19)36-18-4-2-16(3-5-18)29-23-20(26)10-15(25)13-28-23/h10-14,16,18,31H,2-9H2,1H3,(H,28,29).
What are the key properties of N-[5-[4-[(3,5-difluoro-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide?
N-[5-[4-[(3,5-difluoro-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide has a molecular weight of 534.59 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[(3,5-difluoro-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide is sourced from PubChem (CID 165113077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).