7-[1-[2-(azetidin-3-yloxy)ethyl]pyrazol-4-yl]-N-(5-pentan-3-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

C25H30N8O — CID 90289234

IUPAC7-[1-[2-(azetidin-3-yloxy)ethyl]pyrazol-4-yl]-N-(5-pentan-3-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCCC(CC)c1cnnc(Nc2ccc3ncc(-c4cnn(CCOC5CNC5)c4)cc3n2)c1
InChIInChI=1S/C25H30N8O/c1-3-17(4-2)19-10-25(32-28-12-19)31-24-6-5-22-23(30-24)9-18(11-27-22)20-13-29-33(16-20)7-8-34-21-14-26-15-21/h5-6,9-13,16-17,21,26H,3-4,7-8,14-15H2,1-2H3,(H,30,31,32)
InChIKeyZFKFGLZKUZHSJR-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.92
Rot. Bonds10

About 7-[1-[2-(azetidin-3-yloxy)ethyl]pyrazol-4-yl]-N-(5-pentan-3-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

7-[1-[2-(azetidin-3-yloxy)ethyl]pyrazol-4-yl]-N-(5-pentan-3-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 90289234) has the molecular formula C25H30N8O and a molecular weight of 458.57 g/mol. Its IUPAC name is 7-[1-[2-(azetidin-3-yloxy)ethyl]pyrazol-4-yl]-N-(5-pentan-3-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-[1-[2-(azetidin-3-yloxy)ethyl]pyrazol-4-yl]-N-(5-pentan-3-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID90289234
Molecular FormulaC25H30N8O
Molecular Weight458.57 g/mol
Exact Mass458.25
IUPAC Name7-[1-[2-(azetidin-3-yloxy)ethyl]pyrazol-4-yl]-N-(5-pentan-3-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCCC(CC)c1cnnc(Nc2ccc3ncc(-c4cnn(CCOC5CNC5)c4)cc3n2)c1
InChIInChI=1S/C25H30N8O/c1-3-17(4-2)19-10-25(32-28-12-19)31-24-6-5-22-23(30-24)9-18(11-27-22)20-13-29-33(16-20)7-8-34-21-14-26-15-21/h5-6,9-13,16-17,21,26H,3-4,7-8,14-15H2,1-2H3,(H,30,31,32)
InChIKeyZFKFGLZKUZHSJR-UHFFFAOYSA-N
XLogP3.92
TPSA102.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[2-(azetidin-3-yloxy)ethyl]pyrazol-4-yl]-N-(5-pentan-3-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of 7-[1-[2-(azetidin-3-yloxy)ethyl]pyrazol-4-yl]-N-(5-pentan-3-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 90289234) is 7-[1-[2-(azetidin-3-yloxy)ethyl]pyrazol-4-yl]-N-(5-pentan-3-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for 7-[1-[2-(azetidin-3-yloxy)ethyl]pyrazol-4-yl]-N-(5-pentan-3-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for 7-[1-[2-(azetidin-3-yloxy)ethyl]pyrazol-4-yl]-N-(5-pentan-3-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is CCC(CC)c1cnnc(Nc2ccc3ncc(-c4cnn(CCOC5CNC5)c4)cc3n2)c1.
What is the InChIKey of 7-[1-[2-(azetidin-3-yloxy)ethyl]pyrazol-4-yl]-N-(5-pentan-3-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is ZFKFGLZKUZHSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O/c1-3-17(4-2)19-10-25(32-28-12-19)31-24-6-5-22-23(30-24)9-18(11-27-22)20-13-29-33(16-20)7-8-34-21-14-26-15-21/h5-6,9-13,16-17,21,26H,3-4,7-8,14-15H2,1-2H3,(H,30,31,32).
What are the key properties of 7-[1-[2-(azetidin-3-yloxy)ethyl]pyrazol-4-yl]-N-(5-pentan-3-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-[1-[2-(azetidin-3-yloxy)ethyl]pyrazol-4-yl]-N-(5-pentan-3-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 458.57 g/mol, XLogP of 3.92, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[2-(azetidin-3-yloxy)ethyl]pyrazol-4-yl]-N-(5-pentan-3-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 90289234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).