[6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridin-4-yl]-methoxymethanol

C22H23N3O4 — CID 146239223

IUPAC[6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridin-4-yl]-methoxymethanol
SMILESCOC(O)c1cc(-c2ccco2)nc2c1c(C)nn2CCCOc1ccccc1
InChIInChI=1S/C22H23N3O4/c1-15-20-17(22(26)27-2)14-18(19-10-6-12-29-19)23-21(20)25(24-15)11-7-13-28-16-8-4-3-5-9-16/h3-6,8-10,12,14,22,26H,7,11,13H2,1-2H3
InChIKeyJDIVQHUGNMUBGZ-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.11
Rot. Bonds8

About [6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridin-4-yl]-methoxymethanol

[6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridin-4-yl]-methoxymethanol (PubChem CID 146239223) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is [6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridin-4-yl]-methoxymethanol.

Molecular Properties

Compound Name[6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridin-4-yl]-methoxymethanol
PubChem CID146239223
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name[6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridin-4-yl]-methoxymethanol
SMILESCOC(O)c1cc(-c2ccco2)nc2c1c(C)nn2CCCOc1ccccc1
InChIInChI=1S/C22H23N3O4/c1-15-20-17(22(26)27-2)14-18(19-10-6-12-29-19)23-21(20)25(24-15)11-7-13-28-16-8-4-3-5-9-16/h3-6,8-10,12,14,22,26H,7,11,13H2,1-2H3
InChIKeyJDIVQHUGNMUBGZ-UHFFFAOYSA-N
XLogP4.11
TPSA82.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridin-4-yl]-methoxymethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-pyridin-4-ylacetamide
CID 19499759
N-(2,6-dichlorophenyl)-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19499756
1-(4-benzylpiperidin-1-yl)-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]ethanone
CID 19499718
ethyl 6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate
CID 118423479
2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 19501372
N-(3-chloro-2-methylphenyl)-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19499717
N-(3-chlorophenyl)-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501428
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501524
N-[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501552
2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide
CID 19501538
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501508
5-methyl-2-(3-phenoxypropyl)pyrazol-3-amine
CID 63266275

Frequently Asked Questions

What is the IUPAC name of [6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridin-4-yl]-methoxymethanol?
The IUPAC name of [6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridin-4-yl]-methoxymethanol (CID 146239223) is [6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridin-4-yl]-methoxymethanol.
What is the SMILES notation for [6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridin-4-yl]-methoxymethanol?
The canonical SMILES for [6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridin-4-yl]-methoxymethanol is COC(O)c1cc(-c2ccco2)nc2c1c(C)nn2CCCOc1ccccc1.
What is the InChIKey of [6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridin-4-yl]-methoxymethanol?
The InChIKey is JDIVQHUGNMUBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-15-20-17(22(26)27-2)14-18(19-10-6-12-29-19)23-21(20)25(24-15)11-7-13-28-16-8-4-3-5-9-16/h3-6,8-10,12,14,22,26H,7,11,13H2,1-2H3.
What are the key properties of [6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridin-4-yl]-methoxymethanol?
[6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridin-4-yl]-methoxymethanol has a molecular weight of 393.44 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridin-4-yl]-methoxymethanol is sourced from PubChem (CID 146239223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).