N-(3-methoxypropyl)-3-phenyl-6-(2,3,4-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

C26H28N4O5 — CID 22426212

IUPACN-(3-methoxypropyl)-3-phenyl-6-(2,3,4-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOCCCNC(=O)c1cc(-c2ccc(OC)c(OC)c2OC)nc2n[nH]c(-c3ccccc3)c12
InChIInChI=1S/C26H28N4O5/c1-32-14-8-13-27-26(31)18-15-19(17-11-12-20(33-2)24(35-4)23(17)34-3)28-25-21(18)22(29-30-25)16-9-6-5-7-10-16/h5-7,9-12,15H,8,13-14H2,1-4H3,(H,27,31)(H,28,29,30)
InChIKeyLVGOIFRQMHPDNX-UHFFFAOYSA-N
MW476.53 g/mol
LogP4.08
Rot. Bonds10

About N-(3-methoxypropyl)-3-phenyl-6-(2,3,4-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

N-(3-methoxypropyl)-3-phenyl-6-(2,3,4-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 22426212) has the molecular formula C26H28N4O5 and a molecular weight of 476.53 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-phenyl-6-(2,3,4-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-phenyl-6-(2,3,4-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID22426212
Molecular FormulaC26H28N4O5
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC NameN-(3-methoxypropyl)-3-phenyl-6-(2,3,4-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOCCCNC(=O)c1cc(-c2ccc(OC)c(OC)c2OC)nc2n[nH]c(-c3ccccc3)c12
InChIInChI=1S/C26H28N4O5/c1-32-14-8-13-27-26(31)18-15-19(17-11-12-20(33-2)24(35-4)23(17)34-3)28-25-21(18)22(29-30-25)16-9-6-5-7-10-16/h5-7,9-12,15H,8,13-14H2,1-4H3,(H,27,31)(H,28,29,30)
InChIKeyLVGOIFRQMHPDNX-UHFFFAOYSA-N
XLogP4.08
TPSA107.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 15988341
6-(2-methoxyphenyl)-3-(4-methylphenyl)-N-pentyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364772
N-butyl-6-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364827
3-(4-bromophenyl)-N-butyl-6-(2,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364889
3-phenyl-6-(2,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548774
N-benzyl-3-(4-bromophenyl)-6-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364893
3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364779
3-(4-bromophenyl)-6-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364900
6-(4-chlorophenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364926
6-(3,4-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 22426194
4-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxamide
CID 6625236
2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 2078342

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-phenyl-6-(2,3,4-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-3-phenyl-6-(2,3,4-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (CID 22426212) is N-(3-methoxypropyl)-3-phenyl-6-(2,3,4-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-phenyl-6-(2,3,4-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-3-phenyl-6-(2,3,4-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is COCCCNC(=O)c1cc(-c2ccc(OC)c(OC)c2OC)nc2n[nH]c(-c3ccccc3)c12.
What is the InChIKey of N-(3-methoxypropyl)-3-phenyl-6-(2,3,4-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is LVGOIFRQMHPDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O5/c1-32-14-8-13-27-26(31)18-15-19(17-11-12-20(33-2)24(35-4)23(17)34-3)28-25-21(18)22(29-30-25)16-9-6-5-7-10-16/h5-7,9-12,15H,8,13-14H2,1-4H3,(H,27,31)(H,28,29,30).
What are the key properties of N-(3-methoxypropyl)-3-phenyl-6-(2,3,4-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
N-(3-methoxypropyl)-3-phenyl-6-(2,3,4-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 476.53 g/mol, XLogP of 4.08, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-phenyl-6-(2,3,4-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 22426212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).