[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone

C19H17N5O2S — CID 90651743

IUPAC[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone
SMILESO=C(c1cn2ccsc2n1)N1CCn2nc(C(O)c3ccccc3)cc2C1
InChIInChI=1S/C19H17N5O2S/c25-17(13-4-2-1-3-5-13)15-10-14-11-22(6-7-24(14)21-15)18(26)16-12-23-8-9-27-19(23)20-16/h1-5,8-10,12,17,25H,6-7,11H2
InChIKeyDIUHLXSPCCUXER-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.33
Rot. Bonds3

About [2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone

[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone (PubChem CID 90651743) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is [2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone.

Molecular Properties

Compound Name[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone
PubChem CID90651743
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC Name[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone
SMILESO=C(c1cn2ccsc2n1)N1CCn2nc(C(O)c3ccccc3)cc2C1
InChIInChI=1S/C19H17N5O2S/c25-17(13-4-2-1-3-5-13)15-10-14-11-22(6-7-24(14)21-15)18(26)16-12-23-8-9-27-19(23)20-16/h1-5,8-10,12,17,25H,6-7,11H2
InChIKeyDIUHLXSPCCUXER-UHFFFAOYSA-N
XLogP2.33
TPSA75.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone?
The IUPAC name of [2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone (CID 90651743) is [2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone.
What is the SMILES notation for [2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone?
The canonical SMILES for [2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone is O=C(c1cn2ccsc2n1)N1CCn2nc(C(O)c3ccccc3)cc2C1.
What is the InChIKey of [2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone?
The InChIKey is DIUHLXSPCCUXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c25-17(13-4-2-1-3-5-13)15-10-14-11-22(6-7-24(14)21-15)18(26)16-12-23-8-9-27-19(23)20-16/h1-5,8-10,12,17,25H,6-7,11H2.
What are the key properties of [2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone?
[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone has a molecular weight of 379.45 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone is sourced from PubChem (CID 90651743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).