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

C25H31FN6O4S — CID 165112972

IUPACN-[5-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide
SMILESCc1ccc(F)c(NC2CCC(Oc3nc(N4CCOCC4)cc4ncc(NS(C)(=O)=O)cc34)CC2)n1
InChIInChI=1S/C25H31FN6O4S/c1-16-3-8-21(26)24(28-16)29-17-4-6-19(7-5-17)36-25-20-13-18(31-37(2,33)34)15-27-22(20)14-23(30-25)32-9-11-35-12-10-32/h3,8,13-15,17,19,31H,4-7,9-12H2,1-2H3,(H,28,29)
InChIKeyRTHBIIVEAOUTEE-UHFFFAOYSA-N
MW530.63 g/mol
LogP3.48
Rot. Bonds7

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

N-[5-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide (PubChem CID 165112972) has the molecular formula C25H31FN6O4S and a molecular weight of 530.63 g/mol. Its IUPAC name is N-[5-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide
PubChem CID165112972
Molecular FormulaC25H31FN6O4S
Molecular Weight530.63 g/mol
Exact Mass530.21
IUPAC NameN-[5-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide
SMILESCc1ccc(F)c(NC2CCC(Oc3nc(N4CCOCC4)cc4ncc(NS(C)(=O)=O)cc34)CC2)n1
InChIInChI=1S/C25H31FN6O4S/c1-16-3-8-21(26)24(28-16)29-17-4-6-19(7-5-17)36-25-20-13-18(31-37(2,33)34)15-27-22(20)14-23(30-25)32-9-11-35-12-10-32/h3,8,13-15,17,19,31H,4-7,9-12H2,1-2H3,(H,28,29)
InChIKeyRTHBIIVEAOUTEE-UHFFFAOYSA-N
XLogP3.48
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.63
LogP ≤ 53.48
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-6-methyl-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide?
The IUPAC name of N-[5-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide (CID 165112972) is N-[5-[4-[(3-fluoro-6-methyl-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-6-methyl-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide?
The canonical SMILES for N-[5-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide is Cc1ccc(F)c(NC2CCC(Oc3nc(N4CCOCC4)cc4ncc(NS(C)(=O)=O)cc34)CC2)n1.
What is the InChIKey of N-[5-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide?
The InChIKey is RTHBIIVEAOUTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN6O4S/c1-16-3-8-21(26)24(28-16)29-17-4-6-19(7-5-17)36-25-20-13-18(31-37(2,33)34)15-27-22(20)14-23(30-25)32-9-11-35-12-10-32/h3,8,13-15,17,19,31H,4-7,9-12H2,1-2H3,(H,28,29).
What are the key properties of N-[5-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide?
N-[5-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide has a molecular weight of 530.63 g/mol, XLogP of 3.48, 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-6-methyl-2-pyridinyl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide is sourced from PubChem (CID 165112972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).