8-[(1-methylpyrazol-3-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine

C18H25N5O — CID 118742616

IUPAC8-[(1-methylpyrazol-3-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCn1ccc(CN2CCC3(CC2)CC(Nc2ccccn2)CO3)n1
InChIInChI=1S/C18H25N5O/c1-22-9-5-15(21-22)13-23-10-6-18(7-11-23)12-16(14-24-18)20-17-4-2-3-8-19-17/h2-5,8-9,16H,6-7,10-14H2,1H3,(H,19,20)
InChIKeyAJAKSXOWFAEMOM-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.05
Rot. Bonds4

About 8-[(1-methylpyrazol-3-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine

8-[(1-methylpyrazol-3-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 118742616) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 8-[(1-methylpyrazol-3-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name8-[(1-methylpyrazol-3-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID118742616
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name8-[(1-methylpyrazol-3-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCn1ccc(CN2CCC3(CC2)CC(Nc2ccccn2)CO3)n1
InChIInChI=1S/C18H25N5O/c1-22-9-5-15(21-22)13-23-10-6-18(7-11-23)12-16(14-24-18)20-17-4-2-3-8-19-17/h2-5,8-9,16H,6-7,10-14H2,1H3,(H,19,20)
InChIKeyAJAKSXOWFAEMOM-UHFFFAOYSA-N
XLogP2.05
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(1-methylpyrazol-3-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of 8-[(1-methylpyrazol-3-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 118742616) is 8-[(1-methylpyrazol-3-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for 8-[(1-methylpyrazol-3-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for 8-[(1-methylpyrazol-3-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine is Cn1ccc(CN2CCC3(CC2)CC(Nc2ccccn2)CO3)n1.
What is the InChIKey of 8-[(1-methylpyrazol-3-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is AJAKSXOWFAEMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-22-9-5-15(21-22)13-23-10-6-18(7-11-23)12-16(14-24-18)20-17-4-2-3-8-19-17/h2-5,8-9,16H,6-7,10-14H2,1H3,(H,19,20).
What are the key properties of 8-[(1-methylpyrazol-3-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
8-[(1-methylpyrazol-3-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 327.43 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-methylpyrazol-3-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 118742616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).