4-hydroxy-N-[(5-methyl-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide

C18H19N3O3 — CID 166268886

IUPAC4-hydroxy-N-[(5-methyl-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
SMILESCc1ccc2oc(CNC(=O)c3cc4n(n3)CCCC4O)cc2c1
InChIInChI=1S/C18H19N3O3/c1-11-4-5-17-12(7-11)8-13(24-17)10-19-18(23)14-9-15-16(22)3-2-6-21(15)20-14/h4-5,7-9,16,22H,2-3,6,10H2,1H3,(H,19,23)
InChIKeyVNMFUQCMYROIOW-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.69
Rot. Bonds3

About 4-hydroxy-N-[(5-methyl-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide

4-hydroxy-N-[(5-methyl-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 166268886) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-hydroxy-N-[(5-methyl-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[(5-methyl-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
PubChem CID166268886
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name4-hydroxy-N-[(5-methyl-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
SMILESCc1ccc2oc(CNC(=O)c3cc4n(n3)CCCC4O)cc2c1
InChIInChI=1S/C18H19N3O3/c1-11-4-5-17-12(7-11)8-13(24-17)10-19-18(23)14-9-15-16(22)3-2-6-21(15)20-14/h4-5,7-9,16,22H,2-3,6,10H2,1H3,(H,19,23)
InChIKeyVNMFUQCMYROIOW-UHFFFAOYSA-N
XLogP2.69
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-N-[(5-methyl-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[(5-methyl-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide
CID 166158839
2-fluoro-N-[(5-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
CID 167840729
N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 17015654
N-[(2-hydroxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide
CID 115598745
ethyl 1-[N-(1-benzofuran-2-ylmethyl)-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111156276
N-cyclobutyl-N-(2-hydroxyethyl)-5-methyl-1-benzofuran-2-carboxamide
CID 102684442
N-[(5-methyl-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 55013130
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 66261699
N-(1-benzofuran-2-ylmethyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 126777983
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 62467038
N-(2-aminoethyl)-N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 63753713
2-[2-[(5-methyl-1-benzofuran-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid
CID 135337241

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(5-methyl-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[(5-methyl-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide (CID 166268886) is 4-hydroxy-N-[(5-methyl-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[(5-methyl-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[(5-methyl-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide is Cc1ccc2oc(CNC(=O)c3cc4n(n3)CCCC4O)cc2c1.
What is the InChIKey of 4-hydroxy-N-[(5-methyl-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is VNMFUQCMYROIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11-4-5-17-12(7-11)8-13(24-17)10-19-18(23)14-9-15-16(22)3-2-6-21(15)20-14/h4-5,7-9,16,22H,2-3,6,10H2,1H3,(H,19,23).
What are the key properties of 4-hydroxy-N-[(5-methyl-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide?
4-hydroxy-N-[(5-methyl-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(5-methyl-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 166268886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).