1-[1-ethyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-3-ylethanone

C18H20N4O2S — CID 146067102

IUPAC1-[1-ethyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-3-ylethanone
SMILESCCn1nc(-c2ncc(C)o2)c2c1CCN(C(=O)Cc1ccsc1)C2
InChIInChI=1S/C18H20N4O2S/c1-3-22-15-4-6-21(16(23)8-13-5-7-25-11-13)10-14(15)17(20-22)18-19-9-12(2)24-18/h5,7,9,11H,3-4,6,8,10H2,1-2H3
InChIKeyPETNRELEYWYPBY-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.06
Rot. Bonds4

About 1-[1-ethyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-3-ylethanone

1-[1-ethyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-3-ylethanone (PubChem CID 146067102) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 1-[1-ethyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[1-ethyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-3-ylethanone
PubChem CID146067102
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name1-[1-ethyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-3-ylethanone
SMILESCCn1nc(-c2ncc(C)o2)c2c1CCN(C(=O)Cc1ccsc1)C2
InChIInChI=1S/C18H20N4O2S/c1-3-22-15-4-6-21(16(23)8-13-5-7-25-11-13)10-14(15)17(20-22)18-19-9-12(2)24-18/h5,7,9,11H,3-4,6,8,10H2,1-2H3
InChIKeyPETNRELEYWYPBY-UHFFFAOYSA-N
XLogP3.06
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[1-ethyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-3-ylethanone with MolForge

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Related Compounds

1-[1-benzyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 146070746
N-cyclopentyl-1-ethyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 146067038
1-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-fluorophenyl)ethanone
CID 146070668
1-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-ethylbutan-1-one
CID 146070669
2-(3-chlorophenyl)-1-[3-(5-methyl-1,3-oxazol-2-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 146067119
ethyl 1-(pyridin-2-ylmethyl)-5-(2-thiophen-3-ylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26146169
(2,4-difluorophenyl)-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 146070705
(3-chloro-4-fluorophenyl)-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 146070702
[3-(5-methyl-1,3-oxazol-2-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone
CID 146066968
[3-(5-methyl-1,3-oxazol-2-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone
CID 146066983
1-[3-(5-methyl-1,3-oxazol-2-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 146066973
1-(azocan-1-yl)-2-thiophen-3-ylethanone
CID 112769654

Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[1-ethyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-3-ylethanone (CID 146067102) is 1-[1-ethyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[1-ethyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[1-ethyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-3-ylethanone is CCn1nc(-c2ncc(C)o2)c2c1CCN(C(=O)Cc1ccsc1)C2.
What is the InChIKey of 1-[1-ethyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-3-ylethanone?
The InChIKey is PETNRELEYWYPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-3-22-15-4-6-21(16(23)8-13-5-7-25-11-13)10-14(15)17(20-22)18-19-9-12(2)24-18/h5,7,9,11H,3-4,6,8,10H2,1-2H3.
What are the key properties of 1-[1-ethyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-3-ylethanone?
1-[1-ethyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-3-ylethanone has a molecular weight of 356.45 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-ethyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 146067102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).