3-[6-(oxan-4-ylmethyl)-5-oxo-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzamide

C19H22N4O3 — CID 134810296

IUPAC3-[6-(oxan-4-ylmethyl)-5-oxo-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzamide
SMILESNC(=O)c1cccc(-c2n[nH]c3c2CC(=O)N(CC2CCOCC2)C3)c1
InChIInChI=1S/C19H22N4O3/c20-19(25)14-3-1-2-13(8-14)18-15-9-17(24)23(11-16(15)21-22-18)10-12-4-6-26-7-5-12/h1-3,8,12H,4-7,9-11H2,(H2,20,25)(H,21,22)
InChIKeyAMXJALWLPSKZDB-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.49
Rot. Bonds4

About 3-[6-(oxan-4-ylmethyl)-5-oxo-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzamide

3-[6-(oxan-4-ylmethyl)-5-oxo-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzamide (PubChem CID 134810296) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[6-(oxan-4-ylmethyl)-5-oxo-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name3-[6-(oxan-4-ylmethyl)-5-oxo-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzamide
PubChem CID134810296
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name3-[6-(oxan-4-ylmethyl)-5-oxo-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzamide
SMILESNC(=O)c1cccc(-c2n[nH]c3c2CC(=O)N(CC2CCOCC2)C3)c1
InChIInChI=1S/C19H22N4O3/c20-19(25)14-3-1-2-13(8-14)18-15-9-17(24)23(11-16(15)21-22-18)10-12-4-6-26-7-5-12/h1-3,8,12H,4-7,9-11H2,(H2,20,25)(H,21,22)
InChIKeyAMXJALWLPSKZDB-UHFFFAOYSA-N
XLogP1.49
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(oxan-4-ylmethyl)-5-oxo-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzamide?
The IUPAC name of 3-[6-(oxan-4-ylmethyl)-5-oxo-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzamide (CID 134810296) is 3-[6-(oxan-4-ylmethyl)-5-oxo-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzamide.
What is the SMILES notation for 3-[6-(oxan-4-ylmethyl)-5-oxo-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzamide?
The canonical SMILES for 3-[6-(oxan-4-ylmethyl)-5-oxo-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzamide is NC(=O)c1cccc(-c2n[nH]c3c2CC(=O)N(CC2CCOCC2)C3)c1.
What is the InChIKey of 3-[6-(oxan-4-ylmethyl)-5-oxo-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzamide?
The InChIKey is AMXJALWLPSKZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c20-19(25)14-3-1-2-13(8-14)18-15-9-17(24)23(11-16(15)21-22-18)10-12-4-6-26-7-5-12/h1-3,8,12H,4-7,9-11H2,(H2,20,25)(H,21,22).
What are the key properties of 3-[6-(oxan-4-ylmethyl)-5-oxo-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzamide?
3-[6-(oxan-4-ylmethyl)-5-oxo-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzamide has a molecular weight of 354.41 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(oxan-4-ylmethyl)-5-oxo-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzamide is sourced from PubChem (CID 134810296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).