7-[1-(3-morpholin-4-ylbutyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

C26H32N8O — CID 90288593

IUPAC7-[1-(3-morpholin-4-ylbutyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCC(C)N5CCOCC5)c4)cc3n2)c1
InChIInChI=1S/C26H32N8O/c1-18(2)20-13-26(32-28-15-20)31-25-5-4-23-24(30-25)12-21(14-27-23)22-16-29-34(17-22)7-6-19(3)33-8-10-35-11-9-33/h4-5,12-19H,6-11H2,1-3H3,(H,30,31,32)
InChIKeyKJNRFCUTDKMXPJ-UHFFFAOYSA-N
MW472.60 g/mol
LogP4.26
Rot. Bonds8

About 7-[1-(3-morpholin-4-ylbutyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

7-[1-(3-morpholin-4-ylbutyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 90288593) has the molecular formula C26H32N8O and a molecular weight of 472.60 g/mol. Its IUPAC name is 7-[1-(3-morpholin-4-ylbutyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-[1-(3-morpholin-4-ylbutyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID90288593
Molecular FormulaC26H32N8O
Molecular Weight472.60 g/mol
Exact Mass472.27
IUPAC Name7-[1-(3-morpholin-4-ylbutyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCC(C)N5CCOCC5)c4)cc3n2)c1
InChIInChI=1S/C26H32N8O/c1-18(2)20-13-26(32-28-15-20)31-25-5-4-23-24(30-25)12-21(14-27-23)22-16-29-34(17-22)7-6-19(3)33-8-10-35-11-9-33/h4-5,12-19H,6-11H2,1-3H3,(H,30,31,32)
InChIKeyKJNRFCUTDKMXPJ-UHFFFAOYSA-N
XLogP4.26
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.60
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(3-morpholin-4-ylbutyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of 7-[1-(3-morpholin-4-ylbutyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 90288593) is 7-[1-(3-morpholin-4-ylbutyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for 7-[1-(3-morpholin-4-ylbutyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for 7-[1-(3-morpholin-4-ylbutyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCC(C)N5CCOCC5)c4)cc3n2)c1.
What is the InChIKey of 7-[1-(3-morpholin-4-ylbutyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is KJNRFCUTDKMXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O/c1-18(2)20-13-26(32-28-15-20)31-25-5-4-23-24(30-25)12-21(14-27-23)22-16-29-34(17-22)7-6-19(3)33-8-10-35-11-9-33/h4-5,12-19H,6-11H2,1-3H3,(H,30,31,32).
What are the key properties of 7-[1-(3-morpholin-4-ylbutyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-[1-(3-morpholin-4-ylbutyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 472.60 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(3-morpholin-4-ylbutyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 90288593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).