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

C18H22N6OS — CID 50958074

IUPAC[5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc2sccn2c1CN1CCn2nc(C(=O)N3CCCC3)cc2C1
InChIInChI=1S/C18H22N6OS/c1-13-16(23-8-9-26-18(23)19-13)12-21-6-7-24-14(11-21)10-15(20-24)17(25)22-4-2-3-5-22/h8-10H,2-7,11-12H2,1H3
InChIKeyAEKPZVNGNXTTLO-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.15
Rot. Bonds3

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

[5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 50958074) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is [5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID50958074
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC Name[5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc2sccn2c1CN1CCn2nc(C(=O)N3CCCC3)cc2C1
InChIInChI=1S/C18H22N6OS/c1-13-16(23-8-9-26-18(23)19-13)12-21-6-7-24-14(11-21)10-15(20-24)17(25)22-4-2-3-5-22/h8-10H,2-7,11-12H2,1H3
InChIKeyAEKPZVNGNXTTLO-UHFFFAOYSA-N
XLogP2.15
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (CID 50958074) is [5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is Cc1nc2sccn2c1CN1CCn2nc(C(=O)N3CCCC3)cc2C1.
What is the InChIKey of [5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is AEKPZVNGNXTTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6OS/c1-13-16(23-8-9-26-18(23)19-13)12-21-6-7-24-14(11-21)10-15(20-24)17(25)22-4-2-3-5-22/h8-10H,2-7,11-12H2,1H3.
What are the key properties of [5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
[5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 370.48 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 50958074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).