9-[(1-methylpyrazol-4-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one

C20H27N5O — CID 118739333

IUPAC9-[(1-methylpyrazol-4-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1cccc(CN2CCC3(CCCN(Cc4cnn(C)c4)C3)C2=O)n1
InChIInChI=1S/C20H27N5O/c1-16-5-3-6-18(22-16)14-25-10-8-20(19(25)26)7-4-9-24(15-20)13-17-11-21-23(2)12-17/h3,5-6,11-12H,4,7-10,13-15H2,1-2H3
InChIKeyOJXCPVWLXPCLGI-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.14
Rot. Bonds4

About 9-[(1-methylpyrazol-4-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one

9-[(1-methylpyrazol-4-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 118739333) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 9-[(1-methylpyrazol-4-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-[(1-methylpyrazol-4-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
PubChem CID118739333
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name9-[(1-methylpyrazol-4-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1cccc(CN2CCC3(CCCN(Cc4cnn(C)c4)C3)C2=O)n1
InChIInChI=1S/C20H27N5O/c1-16-5-3-6-18(22-16)14-25-10-8-20(19(25)26)7-4-9-24(15-20)13-17-11-21-23(2)12-17/h3,5-6,11-12H,4,7-10,13-15H2,1-2H3
InChIKeyOJXCPVWLXPCLGI-UHFFFAOYSA-N
XLogP2.14
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.14
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-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-[(1-methylpyrazol-4-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one (CID 118739333) is 9-[(1-methylpyrazol-4-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-[(1-methylpyrazol-4-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-[(1-methylpyrazol-4-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one is Cc1cccc(CN2CCC3(CCCN(Cc4cnn(C)c4)C3)C2=O)n1.
What is the InChIKey of 9-[(1-methylpyrazol-4-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is OJXCPVWLXPCLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-16-5-3-6-18(22-16)14-25-10-8-20(19(25)26)7-4-9-24(15-20)13-17-11-21-23(2)12-17/h3,5-6,11-12H,4,7-10,13-15H2,1-2H3.
What are the key properties of 9-[(1-methylpyrazol-4-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
9-[(1-methylpyrazol-4-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 353.47 g/mol, XLogP of 2.14, 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-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118739333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).