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

C18H23N5O — CID 118741017

IUPAC9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESCn1cc(CN2CCCC3(CCN(c4cccnc4)C3=O)C2)cn1
InChIInChI=1S/C18H23N5O/c1-21-12-15(10-20-21)13-22-8-3-5-18(14-22)6-9-23(17(18)24)16-4-2-7-19-11-16/h2,4,7,10-12H,3,5-6,8-9,13-14H2,1H3
InChIKeyWLGAASRNGJNHTN-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.83
Rot. Bonds3

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

9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 118741017) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID118741017
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESCn1cc(CN2CCCC3(CCN(c4cccnc4)C3=O)C2)cn1
InChIInChI=1S/C18H23N5O/c1-21-12-15(10-20-21)13-22-8-3-5-18(14-22)6-9-23(17(18)24)16-4-2-7-19-11-16/h2,4,7,10-12H,3,5-6,8-9,13-14H2,1H3
InChIKeyWLGAASRNGJNHTN-UHFFFAOYSA-N
XLogP1.83
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
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-yl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one (CID 118741017) is 9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one is Cn1cc(CN2CCCC3(CCN(c4cccnc4)C3=O)C2)cn1.
What is the InChIKey of 9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is WLGAASRNGJNHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-21-12-15(10-20-21)13-22-8-3-5-18(14-22)6-9-23(17(18)24)16-4-2-7-19-11-16/h2,4,7,10-12H,3,5-6,8-9,13-14H2,1H3.
What are the key properties of 9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one?
9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 325.42 g/mol, XLogP of 1.83, 3 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-yl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118741017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).