2-[(5-methylpyrazin-2-yl)methyl]-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one

C20H25N5O — CID 70711857

IUPAC2-[(5-methylpyrazin-2-yl)methyl]-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1cnc(CN2CC3(CCCN(c4ccccn4)C3)CCC2=O)cn1
InChIInChI=1S/C20H25N5O/c1-16-11-23-17(12-22-16)13-25-15-20(8-6-19(25)26)7-4-10-24(14-20)18-5-2-3-9-21-18/h2-3,5,9,11-12H,4,6-8,10,13-15H2,1H3
InChIKeyGPDVHYZYTXBDPS-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.59
Rot. Bonds3

About 2-[(5-methylpyrazin-2-yl)methyl]-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one

2-[(5-methylpyrazin-2-yl)methyl]-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70711857) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[(5-methylpyrazin-2-yl)methyl]-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-[(5-methylpyrazin-2-yl)methyl]-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70711857
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name2-[(5-methylpyrazin-2-yl)methyl]-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1cnc(CN2CC3(CCCN(c4ccccn4)C3)CCC2=O)cn1
InChIInChI=1S/C20H25N5O/c1-16-11-23-17(12-22-16)13-25-15-20(8-6-19(25)26)7-4-10-24(14-20)18-5-2-3-9-21-18/h2-3,5,9,11-12H,4,6-8,10,13-15H2,1H3
InChIKeyGPDVHYZYTXBDPS-UHFFFAOYSA-N
XLogP2.59
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylpyrazin-2-yl)methyl]-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-[(5-methylpyrazin-2-yl)methyl]-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one (CID 70711857) is 2-[(5-methylpyrazin-2-yl)methyl]-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-[(5-methylpyrazin-2-yl)methyl]-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-[(5-methylpyrazin-2-yl)methyl]-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one is Cc1cnc(CN2CC3(CCCN(c4ccccn4)C3)CCC2=O)cn1.
What is the InChIKey of 2-[(5-methylpyrazin-2-yl)methyl]-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is GPDVHYZYTXBDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-16-11-23-17(12-22-16)13-25-15-20(8-6-19(25)26)7-4-10-24(14-20)18-5-2-3-9-21-18/h2-3,5,9,11-12H,4,6-8,10,13-15H2,1H3.
What are the key properties of 2-[(5-methylpyrazin-2-yl)methyl]-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
2-[(5-methylpyrazin-2-yl)methyl]-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 351.45 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylpyrazin-2-yl)methyl]-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70711857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).