2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

C17H22N6O2S — CID 50966106

IUPAC2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESCc1nc(N)sc1CC(=O)N1CCn2nc(C(=O)N3CCCC3)cc2C1
InChIInChI=1S/C17H22N6O2S/c1-11-14(26-17(18)19-11)9-15(24)22-6-7-23-12(10-22)8-13(20-23)16(25)21-4-2-3-5-21/h8H,2-7,9-10H2,1H3,(H2,18,19)
InChIKeyMUWLRQJJKZQKDY-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.05
Rot. Bonds3

About 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (PubChem CID 50966106) has the molecular formula C17H22N6O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.

Molecular Properties

Compound Name2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
PubChem CID50966106
Molecular FormulaC17H22N6O2S
Molecular Weight374.47 g/mol
Exact Mass374.15
IUPAC Name2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESCc1nc(N)sc1CC(=O)N1CCn2nc(C(=O)N3CCCC3)cc2C1
InChIInChI=1S/C17H22N6O2S/c1-11-14(26-17(18)19-11)9-15(24)22-6-7-23-12(10-22)8-13(20-23)16(25)21-4-2-3-5-21/h8H,2-7,9-10H2,1H3,(H2,18,19)
InChIKeyMUWLRQJJKZQKDY-UHFFFAOYSA-N
XLogP1.05
TPSA97.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The IUPAC name of 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (CID 50966106) is 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.
What is the SMILES notation for 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The canonical SMILES for 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is Cc1nc(N)sc1CC(=O)N1CCn2nc(C(=O)N3CCCC3)cc2C1.
What is the InChIKey of 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The InChIKey is MUWLRQJJKZQKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2S/c1-11-14(26-17(18)19-11)9-15(24)22-6-7-23-12(10-22)8-13(20-23)16(25)21-4-2-3-5-21/h8H,2-7,9-10H2,1H3,(H2,18,19).
What are the key properties of 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone has a molecular weight of 374.47 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is sourced from PubChem (CID 50966106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).