8-[(1-methylpyrazol-3-yl)methyl]-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine

C18H26N6O — CID 118742625

IUPAC8-[(1-methylpyrazol-3-yl)methyl]-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCc1ccc(NC2COC3(CCN(Cc4ccn(C)n4)CC3)C2)nn1
InChIInChI=1S/C18H26N6O/c1-14-3-4-17(21-20-14)19-16-11-18(25-13-16)6-9-24(10-7-18)12-15-5-8-23(2)22-15/h3-5,8,16H,6-7,9-13H2,1-2H3,(H,19,21)
InChIKeyLAPBQHGCSYMIKF-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.75
Rot. Bonds4

About 8-[(1-methylpyrazol-3-yl)methyl]-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine

8-[(1-methylpyrazol-3-yl)methyl]-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 118742625) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 8-[(1-methylpyrazol-3-yl)methyl]-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name8-[(1-methylpyrazol-3-yl)methyl]-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID118742625
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name8-[(1-methylpyrazol-3-yl)methyl]-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCc1ccc(NC2COC3(CCN(Cc4ccn(C)n4)CC3)C2)nn1
InChIInChI=1S/C18H26N6O/c1-14-3-4-17(21-20-14)19-16-11-18(25-13-16)6-9-24(10-7-18)12-15-5-8-23(2)22-15/h3-5,8,16H,6-7,9-13H2,1-2H3,(H,19,21)
InChIKeyLAPBQHGCSYMIKF-UHFFFAOYSA-N
XLogP1.75
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[(1-methylpyrazol-3-yl)methyl]-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of 8-[(1-methylpyrazol-3-yl)methyl]-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 118742625) is 8-[(1-methylpyrazol-3-yl)methyl]-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for 8-[(1-methylpyrazol-3-yl)methyl]-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for 8-[(1-methylpyrazol-3-yl)methyl]-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine is Cc1ccc(NC2COC3(CCN(Cc4ccn(C)n4)CC3)C2)nn1.
What is the InChIKey of 8-[(1-methylpyrazol-3-yl)methyl]-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is LAPBQHGCSYMIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-14-3-4-17(21-20-14)19-16-11-18(25-13-16)6-9-24(10-7-18)12-15-5-8-23(2)22-15/h3-5,8,16H,6-7,9-13H2,1-2H3,(H,19,21).
What are the key properties of 8-[(1-methylpyrazol-3-yl)methyl]-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
8-[(1-methylpyrazol-3-yl)methyl]-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 342.45 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-methylpyrazol-3-yl)methyl]-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 118742625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).