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

C19H25N5O — CID 118741195

IUPAC9-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCn1cc(CN2CCCC3(CCN(Cc4cccnc4)C3=O)C2)cn1
InChIInChI=1S/C19H25N5O/c1-22-12-17(11-21-22)13-23-8-3-5-19(15-23)6-9-24(18(19)25)14-16-4-2-7-20-10-16/h2,4,7,10-12H,3,5-6,8-9,13-15H2,1H3
InChIKeyMZYQXZZHSHZZBV-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.83
Rot. Bonds4

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

9-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 118741195) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 9-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID118741195
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name9-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCn1cc(CN2CCCC3(CCN(Cc4cccnc4)C3=O)C2)cn1
InChIInChI=1S/C19H25N5O/c1-22-12-17(11-21-22)13-23-8-3-5-19(15-23)6-9-24(18(19)25)14-16-4-2-7-20-10-16/h2,4,7,10-12H,3,5-6,8-9,13-15H2,1H3
InChIKeyMZYQXZZHSHZZBV-UHFFFAOYSA-N
XLogP1.83
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one (CID 118741195) is 9-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one is Cn1cc(CN2CCCC3(CCN(Cc4cccnc4)C3=O)C2)cn1.
What is the InChIKey of 9-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is MZYQXZZHSHZZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-22-12-17(11-21-22)13-23-8-3-5-19(15-23)6-9-24(18(19)25)14-16-4-2-7-20-10-16/h2,4,7,10-12H,3,5-6,8-9,13-15H2,1H3.
What are the key properties of 9-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
9-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 339.44 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118741195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).