5-(1-benzofuran-6-ylmethyl)-1-(2-hydroxyethyl)-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C26H28N4O3 — CID 118933243

IUPAC5-(1-benzofuran-6-ylmethyl)-1-(2-hydroxyethyl)-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC(NC(=O)c1nn(CCO)c2c1CN(Cc1ccc3ccoc3c1)CC2)c1ccccc1
InChIInChI=1S/C26H28N4O3/c1-18(20-5-3-2-4-6-20)27-26(32)25-22-17-29(11-9-23(22)30(28-25)12-13-31)16-19-7-8-21-10-14-33-24(21)15-19/h2-8,10,14-15,18,31H,9,11-13,16-17H2,1H3,(H,27,32)
InChIKeyGWMXDTVCMFIFFD-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.67
Rot. Bonds7

About 5-(1-benzofuran-6-ylmethyl)-1-(2-hydroxyethyl)-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

5-(1-benzofuran-6-ylmethyl)-1-(2-hydroxyethyl)-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 118933243) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 5-(1-benzofuran-6-ylmethyl)-1-(2-hydroxyethyl)-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(1-benzofuran-6-ylmethyl)-1-(2-hydroxyethyl)-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID118933243
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name5-(1-benzofuran-6-ylmethyl)-1-(2-hydroxyethyl)-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC(NC(=O)c1nn(CCO)c2c1CN(Cc1ccc3ccoc3c1)CC2)c1ccccc1
InChIInChI=1S/C26H28N4O3/c1-18(20-5-3-2-4-6-20)27-26(32)25-22-17-29(11-9-23(22)30(28-25)12-13-31)16-19-7-8-21-10-14-33-24(21)15-19/h2-8,10,14-15,18,31H,9,11-13,16-17H2,1H3,(H,27,32)
InChIKeyGWMXDTVCMFIFFD-UHFFFAOYSA-N
XLogP3.67
TPSA83.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-((3r,5s)-1-(Benzofuran-3-Carbonyl)-5-(Ethylcarbamoyl)pyrrolidin-3-Yl)-3-Ethyl-1-Methyl-1h-Pyrazole-5-Carboxamide
CID 72725792
1-(2-Hydroxyethyl)-5-[(4-Methoxynaphthalen-1-Yl)methyl]-~{n}-(Phenylmethyl)-6,7-Dihydro-4~{h}-Pyrazolo[4,3-C]pyridine-3-Carboxamide
CID 26137977
1-(1-(3-(4-(6-fluorobenzofuran-3-yl)piperidin-1-yl)-2-hydroxypropyl)-3-(4-(trifluoromethyl)phenyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone
CID 10144986
N-(2-acetamidoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 122657485
N-[(3R,5S)-1-(1-benzofuran-3-carbonyl)-5-carbamoylpyrrolidin-3-yl]-1,3-diethylpyrazole-5-carboxamide
CID 76314530
N-[(3R,5S)-1-(1-benzofuran-5-carbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 76314531
N-[(3R,5S)-1-(1-benzofuran-3-carbonyl)-5-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)methylcarbamoyl]pyrrolidin-3-yl]-1,3-diethylpyrazole-5-carboxamide
CID 76318088
N-[(3R,5S)-1-(1-benzofuran-3-carbonyl)-5-(2-hydroxyethylcarbamoyl)pyrrolidin-3-yl]-1,3-diethylpyrazole-5-carboxamide
CID 76318089
N-[(3R,5S)-1-(1-benzofuran-3-carbonyl)-5-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-3-yl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 76318104
N-[(3R,5S)-1-(1-benzofuran-3-carbonyl)-5-(propylcarbamoyl)pyrrolidin-3-yl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 76318111
N-[(3R,5S)-1-(1-benzofuran-3-carbonyl)-5-(2-methoxyethylcarbamoyl)pyrrolidin-3-yl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 76318112
N-[(3R)-1-(1-benzofuran-3-carbonyl)pyrrolidin-3-yl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 76321799

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-6-ylmethyl)-1-(2-hydroxyethyl)-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-(1-benzofuran-6-ylmethyl)-1-(2-hydroxyethyl)-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 118933243) is 5-(1-benzofuran-6-ylmethyl)-1-(2-hydroxyethyl)-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(1-benzofuran-6-ylmethyl)-1-(2-hydroxyethyl)-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(1-benzofuran-6-ylmethyl)-1-(2-hydroxyethyl)-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CC(NC(=O)c1nn(CCO)c2c1CN(Cc1ccc3ccoc3c1)CC2)c1ccccc1.
What is the InChIKey of 5-(1-benzofuran-6-ylmethyl)-1-(2-hydroxyethyl)-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is GWMXDTVCMFIFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-18(20-5-3-2-4-6-20)27-26(32)25-22-17-29(11-9-23(22)30(28-25)12-13-31)16-19-7-8-21-10-14-33-24(21)15-19/h2-8,10,14-15,18,31H,9,11-13,16-17H2,1H3,(H,27,32).
What are the key properties of 5-(1-benzofuran-6-ylmethyl)-1-(2-hydroxyethyl)-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
5-(1-benzofuran-6-ylmethyl)-1-(2-hydroxyethyl)-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-6-ylmethyl)-1-(2-hydroxyethyl)-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118933243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).