6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyridin-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one

C18H24N6O — CID 118747113

IUPAC6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyridin-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCN1CC(=O)N(c2cnn(C)c2)CC12CCN(Cc1cccnc1)C2
InChIInChI=1S/C18H24N6O/c1-21-12-17(25)24(16-9-20-22(2)11-16)14-18(21)5-7-23(13-18)10-15-4-3-6-19-8-15/h3-4,6,8-9,11H,5,7,10,12-14H2,1-2H3
InChIKeyWPGRGWZJUOIFCB-UHFFFAOYSA-N
MW340.43 g/mol
LogP0.74
Rot. Bonds3

About 6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyridin-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one

6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyridin-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 118747113) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyridin-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyridin-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID118747113
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyridin-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCN1CC(=O)N(c2cnn(C)c2)CC12CCN(Cc1cccnc1)C2
InChIInChI=1S/C18H24N6O/c1-21-12-17(25)24(16-9-20-22(2)11-16)14-18(21)5-7-23(13-18)10-15-4-3-6-19-8-15/h3-4,6,8-9,11H,5,7,10,12-14H2,1-2H3
InChIKeyWPGRGWZJUOIFCB-UHFFFAOYSA-N
XLogP0.74
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyridin-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of 6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyridin-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one (CID 118747113) is 6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyridin-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one.
What is the SMILES notation for 6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyridin-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for 6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyridin-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one is CN1CC(=O)N(c2cnn(C)c2)CC12CCN(Cc1cccnc1)C2.
What is the InChIKey of 6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyridin-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is WPGRGWZJUOIFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-21-12-17(25)24(16-9-20-22(2)11-16)14-18(21)5-7-23(13-18)10-15-4-3-6-19-8-15/h3-4,6,8-9,11H,5,7,10,12-14H2,1-2H3.
What are the key properties of 6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyridin-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one?
6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyridin-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 340.43 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyridin-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 118747113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).