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

C24H29FN6O4S — CID 165113023

IUPACN-[5-[4-[(3-fluoro-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cnc2cc(N3CCOCC3)nc(OC3CCC(Nc4ncccc4F)CC3)c2c1
InChIInChI=1S/C24H29FN6O4S/c1-36(32,33)30-17-13-19-21(27-15-17)14-22(31-9-11-34-12-10-31)29-24(19)35-18-6-4-16(5-7-18)28-23-20(25)3-2-8-26-23/h2-3,8,13-16,18,30H,4-7,9-12H2,1H3,(H,26,28)
InChIKeyRJXQTXQTDYXJIF-UHFFFAOYSA-N
MW516.60 g/mol
LogP3.17
Rot. Bonds7

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

N-[5-[4-[(3-fluoro-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide (PubChem CID 165113023) has the molecular formula C24H29FN6O4S and a molecular weight of 516.60 g/mol. Its IUPAC name is N-[5-[4-[(3-fluoro-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[4-[(3-fluoro-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide
PubChem CID165113023
Molecular FormulaC24H29FN6O4S
Molecular Weight516.60 g/mol
Exact Mass516.20
IUPAC NameN-[5-[4-[(3-fluoro-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cnc2cc(N3CCOCC3)nc(OC3CCC(Nc4ncccc4F)CC3)c2c1
InChIInChI=1S/C24H29FN6O4S/c1-36(32,33)30-17-13-19-21(27-15-17)14-22(31-9-11-34-12-10-31)29-24(19)35-18-6-4-16(5-7-18)28-23-20(25)3-2-8-26-23/h2-3,8,13-16,18,30H,4-7,9-12H2,1H3,(H,26,28)
InChIKeyRJXQTXQTDYXJIF-UHFFFAOYSA-N
XLogP3.17
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.60
LogP ≤ 53.17
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-fluoro-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide?
The IUPAC name of N-[5-[4-[(3-fluoro-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide (CID 165113023) is N-[5-[4-[(3-fluoro-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-fluoro-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide?
The canonical SMILES for N-[5-[4-[(3-fluoro-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide is CS(=O)(=O)Nc1cnc2cc(N3CCOCC3)nc(OC3CCC(Nc4ncccc4F)CC3)c2c1.
What is the InChIKey of N-[5-[4-[(3-fluoro-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide?
The InChIKey is RJXQTXQTDYXJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O4S/c1-36(32,33)30-17-13-19-21(27-15-17)14-22(31-9-11-34-12-10-31)29-24(19)35-18-6-4-16(5-7-18)28-23-20(25)3-2-8-26-23/h2-3,8,13-16,18,30H,4-7,9-12H2,1H3,(H,26,28).
What are the key properties of N-[5-[4-[(3-fluoro-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide?
N-[5-[4-[(3-fluoro-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide has a molecular weight of 516.60 g/mol, XLogP of 3.17, 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-fluoro-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide is sourced from PubChem (CID 165113023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).