N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyridazin-3-amine

C22H26N6O2 — CID 165113093

IUPACN-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyridazin-3-amine
SMILESc1cnnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncccc34)CC2)c1
InChIInChI=1S/C22H26N6O2/c1-3-18-19(23-9-1)15-21(28-11-13-29-14-12-28)26-22(18)30-17-7-5-16(6-8-17)25-20-4-2-10-24-27-20/h1-4,9-10,15-17H,5-8,11-14H2,(H,25,27)
InChIKeyQNQHNQYODLDHMI-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.06
Rot. Bonds5

About N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyridazin-3-amine

N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyridazin-3-amine (PubChem CID 165113093) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyridazin-3-amine
PubChem CID165113093
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC NameN-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyridazin-3-amine
SMILESc1cnnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncccc34)CC2)c1
InChIInChI=1S/C22H26N6O2/c1-3-18-19(23-9-1)15-21(28-11-13-29-14-12-28)26-22(18)30-17-7-5-16(6-8-17)25-20-4-2-10-24-27-20/h1-4,9-10,15-17H,5-8,11-14H2,(H,25,27)
InChIKeyQNQHNQYODLDHMI-UHFFFAOYSA-N
XLogP3.06
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyridazin-3-amine?
The IUPAC name of N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyridazin-3-amine (CID 165113093) is N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyridazin-3-amine.
What is the SMILES notation for N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyridazin-3-amine?
The canonical SMILES for N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyridazin-3-amine is c1cnnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncccc34)CC2)c1.
What is the InChIKey of N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyridazin-3-amine?
The InChIKey is QNQHNQYODLDHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-3-18-19(23-9-1)15-21(28-11-13-29-14-12-28)26-22(18)30-17-7-5-16(6-8-17)25-20-4-2-10-24-27-20/h1-4,9-10,15-17H,5-8,11-14H2,(H,25,27).
What are the key properties of N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyridazin-3-amine?
N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyridazin-3-amine has a molecular weight of 406.49 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyridazin-3-amine is sourced from PubChem (CID 165113093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).