2-pyridin-3-yl-1-[2-(thiomorpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

C18H23N5OS — CID 56895945

IUPAC2-pyridin-3-yl-1-[2-(thiomorpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESO=C(Cc1cccnc1)N1CCn2nc(CN3CCSCC3)cc2C1
InChIInChI=1S/C18H23N5OS/c24-18(10-15-2-1-3-19-12-15)22-4-5-23-17(14-22)11-16(20-23)13-21-6-8-25-9-7-21/h1-3,11-12H,4-10,13-14H2
InChIKeyJSHLDMZOVCIWSF-UHFFFAOYSA-N
MW357.48 g/mol
LogP1.41
Rot. Bonds4

About 2-pyridin-3-yl-1-[2-(thiomorpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

2-pyridin-3-yl-1-[2-(thiomorpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (PubChem CID 56895945) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-pyridin-3-yl-1-[2-(thiomorpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.

Molecular Properties

Compound Name2-pyridin-3-yl-1-[2-(thiomorpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
PubChem CID56895945
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC Name2-pyridin-3-yl-1-[2-(thiomorpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESO=C(Cc1cccnc1)N1CCn2nc(CN3CCSCC3)cc2C1
InChIInChI=1S/C18H23N5OS/c24-18(10-15-2-1-3-19-12-15)22-4-5-23-17(14-22)11-16(20-23)13-21-6-8-25-9-7-21/h1-3,11-12H,4-10,13-14H2
InChIKeyJSHLDMZOVCIWSF-UHFFFAOYSA-N
XLogP1.41
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[(5-methylpyrazin-2-yl)methyl]-1,4-diazepan-1-yl]-2-pyridin-3-ylethanone
CID 138386784
2-methyl-1-[2-(piperazin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one
CID 177354703
1-pyridin-3-yl-4-(2-pyridin-3-ylacetyl)piperazin-2-one
CID 126851696
N,N-dimethyl-2-[(3-pyridin-3-ylpropanoylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 70786539
4-(2-pyridin-3-ylacetyl)thiomorpholine-3-carboxylic acid
CID 82900776
N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-pyridin-3-ylpropanamide
CID 70760472
1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-phenylmethoxyethanone
CID 91785016
1-[2-[(4-ethylpiperazin-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(2-methoxyethoxy)ethanone
CID 56904088
2-pyridin-3-yl-1-[3-(pyrrolidin-1-ylmethyl)thiomorpholin-4-yl]ethanone
CID 18915165
1-[4-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 58348017
1-[4-[(3-hexoxyphenyl)methyl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 58347595
2-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]propanoic acid
CID 62691390

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-1-[2-(thiomorpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The IUPAC name of 2-pyridin-3-yl-1-[2-(thiomorpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (CID 56895945) is 2-pyridin-3-yl-1-[2-(thiomorpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.
What is the SMILES notation for 2-pyridin-3-yl-1-[2-(thiomorpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The canonical SMILES for 2-pyridin-3-yl-1-[2-(thiomorpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is O=C(Cc1cccnc1)N1CCn2nc(CN3CCSCC3)cc2C1.
What is the InChIKey of 2-pyridin-3-yl-1-[2-(thiomorpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The InChIKey is JSHLDMZOVCIWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS/c24-18(10-15-2-1-3-19-12-15)22-4-5-23-17(14-22)11-16(20-23)13-21-6-8-25-9-7-21/h1-3,11-12H,4-10,13-14H2.
What are the key properties of 2-pyridin-3-yl-1-[2-(thiomorpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
2-pyridin-3-yl-1-[2-(thiomorpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone has a molecular weight of 357.48 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-1-[2-(thiomorpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is sourced from PubChem (CID 56895945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).