7-[1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

C25H28N8O — CID 90289058

IUPAC7-[1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCN5CC6(COC6)C5)c4)cc3n2)c1
InChIInChI=1S/C25H28N8O/c1-17(2)18-8-24(31-27-10-18)30-23-4-3-21-22(29-23)7-19(9-26-21)20-11-28-33(12-20)6-5-32-13-25(14-32)15-34-16-25/h3-4,7-12,17H,5-6,13-16H2,1-2H3,(H,29,30,31)
InChIKeyDDVAQMSXHJVMJT-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.48
Rot. Bonds7

About 7-[1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

7-[1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 90289058) has the molecular formula C25H28N8O and a molecular weight of 456.55 g/mol. Its IUPAC name is 7-[1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-[1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID90289058
Molecular FormulaC25H28N8O
Molecular Weight456.55 g/mol
Exact Mass456.24
IUPAC Name7-[1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCN5CC6(COC6)C5)c4)cc3n2)c1
InChIInChI=1S/C25H28N8O/c1-17(2)18-8-24(31-27-10-18)30-23-4-3-21-22(29-23)7-19(9-26-21)20-11-28-33(12-20)6-5-32-13-25(14-32)15-34-16-25/h3-4,7-12,17H,5-6,13-16H2,1-2H3,(H,29,30,31)
InChIKeyDDVAQMSXHJVMJT-UHFFFAOYSA-N
XLogP3.48
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-[1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of 7-[1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 90289058) is 7-[1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for 7-[1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for 7-[1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCN5CC6(COC6)C5)c4)cc3n2)c1.
What is the InChIKey of 7-[1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is DDVAQMSXHJVMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O/c1-17(2)18-8-24(31-27-10-18)30-23-4-3-21-22(29-23)7-19(9-26-21)20-11-28-33(12-20)6-5-32-13-25(14-32)15-34-16-25/h3-4,7-12,17H,5-6,13-16H2,1-2H3,(H,29,30,31).
What are the key properties of 7-[1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-[1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 456.55 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 90289058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).