2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C16H22N4O2S — CID 91835557

IUPAC2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCCn1nc(CO)c2c1CCN(C(=O)Cc1nc(C)sc1C)C2
InChIInChI=1S/C16H22N4O2S/c1-4-20-15-5-6-19(8-12(15)14(9-21)18-20)16(22)7-13-10(2)23-11(3)17-13/h21H,4-9H2,1-3H3
InChIKeyDRMGANLDMRHCRQ-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.60
Rot. Bonds4

About 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 91835557) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID91835557
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCCn1nc(CO)c2c1CCN(C(=O)Cc1nc(C)sc1C)C2
InChIInChI=1S/C16H22N4O2S/c1-4-20-15-5-6-19(8-12(15)14(9-21)18-20)16(22)7-13-10(2)23-11(3)17-13/h21H,4-9H2,1-3H3
InChIKeyDRMGANLDMRHCRQ-UHFFFAOYSA-N
XLogP1.60
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 91835557) is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CCn1nc(CO)c2c1CCN(C(=O)Cc1nc(C)sc1C)C2.
What is the InChIKey of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is DRMGANLDMRHCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-4-20-15-5-6-19(8-12(15)14(9-21)18-20)16(22)7-13-10(2)23-11(3)17-13/h21H,4-9H2,1-3H3.
What are the key properties of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 334.45 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 91835557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).