4-oxo-N-[(2-phenyloxolan-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxamide

C19H21N3O3 — CID 136566234

IUPAC4-oxo-N-[(2-phenyloxolan-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCCO1)c1cc2n(n1)CCCC2=O
InChIInChI=1S/C19H21N3O3/c23-17-8-4-10-22-16(17)12-15(21-22)18(24)20-13-19(9-5-11-25-19)14-6-2-1-3-7-14/h1-3,6-7,12H,4-5,8-11,13H2,(H,20,24)
InChIKeyXTHNKJRSIKMYEA-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.30
Rot. Bonds4

About 4-oxo-N-[(2-phenyloxolan-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxamide

4-oxo-N-[(2-phenyloxolan-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 136566234) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-oxo-N-[(2-phenyloxolan-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[(2-phenyloxolan-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxamide
PubChem CID136566234
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-oxo-N-[(2-phenyloxolan-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCCO1)c1cc2n(n1)CCCC2=O
InChIInChI=1S/C19H21N3O3/c23-17-8-4-10-22-16(17)12-15(21-22)18(24)20-13-19(9-5-11-25-19)14-6-2-1-3-7-14/h1-3,6-7,12H,4-5,8-11,13H2,(H,20,24)
InChIKeyXTHNKJRSIKMYEA-UHFFFAOYSA-N
XLogP2.30
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[(2-phenyloxolan-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of 4-oxo-N-[(2-phenyloxolan-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxamide (CID 136566234) is 4-oxo-N-[(2-phenyloxolan-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for 4-oxo-N-[(2-phenyloxolan-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for 4-oxo-N-[(2-phenyloxolan-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxamide is O=C(NCC1(c2ccccc2)CCCO1)c1cc2n(n1)CCCC2=O.
What is the InChIKey of 4-oxo-N-[(2-phenyloxolan-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is XTHNKJRSIKMYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-17-8-4-10-22-16(17)12-15(21-22)18(24)20-13-19(9-5-11-25-19)14-6-2-1-3-7-14/h1-3,6-7,12H,4-5,8-11,13H2,(H,20,24).
What are the key properties of 4-oxo-N-[(2-phenyloxolan-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxamide?
4-oxo-N-[(2-phenyloxolan-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[(2-phenyloxolan-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 136566234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).