1-(2-ethoxyethyl)-3-(1,3-oxazol-4-yl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C17H25N5O3 — CID 146068050

IUPAC1-(2-ethoxyethyl)-3-(1,3-oxazol-4-yl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCCCNC(=O)N1CCc2c(c(-c3cocn3)nn2CCOCC)C1
InChIInChI=1S/C17H25N5O3/c1-3-6-18-17(23)21-7-5-15-13(10-21)16(14-11-25-12-19-14)20-22(15)8-9-24-4-2/h11-12H,3-10H2,1-2H3,(H,18,23)
InChIKeyQGIPIQNABRZPHK-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.05
Rot. Bonds7

About 1-(2-ethoxyethyl)-3-(1,3-oxazol-4-yl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

1-(2-ethoxyethyl)-3-(1,3-oxazol-4-yl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 146068050) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-(1,3-oxazol-4-yl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-(1,3-oxazol-4-yl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID146068050
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name1-(2-ethoxyethyl)-3-(1,3-oxazol-4-yl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCCCNC(=O)N1CCc2c(c(-c3cocn3)nn2CCOCC)C1
InChIInChI=1S/C17H25N5O3/c1-3-6-18-17(23)21-7-5-15-13(10-21)16(14-11-25-12-19-14)20-22(15)8-9-24-4-2/h11-12H,3-10H2,1-2H3,(H,18,23)
InChIKeyQGIPIQNABRZPHK-UHFFFAOYSA-N
XLogP2.05
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
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-(2-ethoxyethyl)-3-(1,3-oxazol-4-yl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 1-(2-ethoxyethyl)-3-(1,3-oxazol-4-yl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 146068050) is 1-(2-ethoxyethyl)-3-(1,3-oxazol-4-yl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-(1,3-oxazol-4-yl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 1-(2-ethoxyethyl)-3-(1,3-oxazol-4-yl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is CCCNC(=O)N1CCc2c(c(-c3cocn3)nn2CCOCC)C1.
What is the InChIKey of 1-(2-ethoxyethyl)-3-(1,3-oxazol-4-yl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is QGIPIQNABRZPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-3-6-18-17(23)21-7-5-15-13(10-21)16(14-11-25-12-19-14)20-22(15)8-9-24-4-2/h11-12H,3-10H2,1-2H3,(H,18,23).
What are the key properties of 1-(2-ethoxyethyl)-3-(1,3-oxazol-4-yl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
1-(2-ethoxyethyl)-3-(1,3-oxazol-4-yl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-(1,3-oxazol-4-yl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 146068050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).