1-ethyl-3-(hydroxymethyl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C19H24N4O3 — CID 72934847

IUPAC1-ethyl-3-(hydroxymethyl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCCn1nc(CO)c2c1CCN(C(=O)Nc1ccc3c(c1)CC(C)O3)C2
InChIInChI=1S/C19H24N4O3/c1-3-23-17-6-7-22(10-15(17)16(11-24)21-23)19(25)20-14-4-5-18-13(9-14)8-12(2)26-18/h4-5,9,12,24H,3,6-8,10-11H2,1-2H3,(H,20,25)
InChIKeyPUUXZSNWFIQSDZ-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.31
Rot. Bonds3

About 1-ethyl-3-(hydroxymethyl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

1-ethyl-3-(hydroxymethyl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 72934847) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-ethyl-3-(hydroxymethyl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-(hydroxymethyl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID72934847
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-ethyl-3-(hydroxymethyl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCCn1nc(CO)c2c1CCN(C(=O)Nc1ccc3c(c1)CC(C)O3)C2
InChIInChI=1S/C19H24N4O3/c1-3-23-17-6-7-22(10-15(17)16(11-24)21-23)19(25)20-14-4-5-18-13(9-14)8-12(2)26-18/h4-5,9,12,24H,3,6-8,10-11H2,1-2H3,(H,20,25)
InChIKeyPUUXZSNWFIQSDZ-UHFFFAOYSA-N
XLogP2.31
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(hydroxymethyl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 1-ethyl-3-(hydroxymethyl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 72934847) is 1-ethyl-3-(hydroxymethyl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-ethyl-3-(hydroxymethyl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 1-ethyl-3-(hydroxymethyl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is CCn1nc(CO)c2c1CCN(C(=O)Nc1ccc3c(c1)CC(C)O3)C2.
What is the InChIKey of 1-ethyl-3-(hydroxymethyl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is PUUXZSNWFIQSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-3-23-17-6-7-22(10-15(17)16(11-24)21-23)19(25)20-14-4-5-18-13(9-14)8-12(2)26-18/h4-5,9,12,24H,3,6-8,10-11H2,1-2H3,(H,20,25).
What are the key properties of 1-ethyl-3-(hydroxymethyl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
1-ethyl-3-(hydroxymethyl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(hydroxymethyl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 72934847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).