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

C20H30N4O3 — CID 146070669

IUPAC1-[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
SMILESCCOCCn1nc(-c2ncc(C)o2)c2c1CCN(C(=O)C(CC)CC)C2
InChIInChI=1S/C20H30N4O3/c1-5-15(6-2)20(25)23-9-8-17-16(13-23)18(19-21-12-14(4)27-19)22-24(17)10-11-26-7-3/h12,15H,5-11,13H2,1-4H3
InChIKeyIZAHYWLBOMWESV-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.20
Rot. Bonds8

About 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

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 (PubChem CID 146070669) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID146070669
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name1-[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
SMILESCCOCCn1nc(-c2ncc(C)o2)c2c1CCN(C(=O)C(CC)CC)C2
InChIInChI=1S/C20H30N4O3/c1-5-15(6-2)20(25)23-9-8-17-16(13-23)18(19-21-12-14(4)27-19)22-24(17)10-11-26-7-3/h12,15H,5-11,13H2,1-4H3
InChIKeyIZAHYWLBOMWESV-UHFFFAOYSA-N
XLogP3.20
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOCCn1nc(-c2ncc(C)o2)c2c1CCN(C(=O)C(CC)CC)C2.
What is the InChIKey of 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?
The InChIKey is IZAHYWLBOMWESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-5-15(6-2)20(25)23-9-8-17-16(13-23)18(19-21-12-14(4)27-19)22-24(17)10-11-26-7-3/h12,15H,5-11,13H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 374.49 g/mol, XLogP of 3.20, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146070669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).