4-hydroxy-3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methoxy]-N-(3-phenoxypropyl)benzamide

C24H24N4O4 — CID 170897937

IUPAC4-hydroxy-3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methoxy]-N-(3-phenoxypropyl)benzamide
SMILESCc1[nH]nc2ncc(COc3cc(C(=O)NCCCOc4ccccc4)ccc3O)cc12
InChIInChI=1S/C24H24N4O4/c1-16-20-12-17(14-26-23(20)28-27-16)15-32-22-13-18(8-9-21(22)29)24(30)25-10-5-11-31-19-6-3-2-4-7-19/h2-4,6-9,12-14,29H,5,10-11,15H2,1H3,(H,25,30)(H,26,27,28)
InChIKeySTACLDGZQHBVFC-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.75
Rot. Bonds9

About 4-hydroxy-3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methoxy]-N-(3-phenoxypropyl)benzamide

4-hydroxy-3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methoxy]-N-(3-phenoxypropyl)benzamide (PubChem CID 170897937) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 4-hydroxy-3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methoxy]-N-(3-phenoxypropyl)benzamide.

Molecular Properties

Compound Name4-hydroxy-3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methoxy]-N-(3-phenoxypropyl)benzamide
PubChem CID170897937
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name4-hydroxy-3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methoxy]-N-(3-phenoxypropyl)benzamide
SMILESCc1[nH]nc2ncc(COc3cc(C(=O)NCCCOc4ccccc4)ccc3O)cc12
InChIInChI=1S/C24H24N4O4/c1-16-20-12-17(14-26-23(20)28-27-16)15-32-22-13-18(8-9-21(22)29)24(30)25-10-5-11-31-19-6-3-2-4-7-19/h2-4,6-9,12-14,29H,5,10-11,15H2,1H3,(H,25,30)(H,26,27,28)
InChIKeySTACLDGZQHBVFC-UHFFFAOYSA-N
XLogP3.75
TPSA109.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide
CID 55431173
4-amino-5-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide
CID 62379290
2,5-dihydroxy-N-(3-phenoxypropyl)benzamide
CID 107722899
4-methoxy-3-methyl-N-(2-phenoxyethyl)benzamide
CID 100543454
3,5-dimethoxy-N-[2-(4-methylphenoxy)ethyl]-4-phenylmethoxybenzamide
CID 9456714
4-hydroxy-3-methoxy-N-(4-phenylbutyl)benzamide
CID 23652768
3,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide
CID 41443073
3-(difluoromethoxy)-4-methoxy-N-(3-phenoxypropyl)benzamide
CID 55739120
3-amino-N-(3-phenoxypropyl)benzamide
CID 62074463
3-benzamido-4-methyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 86843489
3,5-dibromo-N-(3-phenoxypropyl)benzamide
CID 107980421
N-pentyl-3-phenylmethoxybenzamide
CID 112759707

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methoxy]-N-(3-phenoxypropyl)benzamide?
The IUPAC name of 4-hydroxy-3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methoxy]-N-(3-phenoxypropyl)benzamide (CID 170897937) is 4-hydroxy-3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methoxy]-N-(3-phenoxypropyl)benzamide.
What is the SMILES notation for 4-hydroxy-3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methoxy]-N-(3-phenoxypropyl)benzamide?
The canonical SMILES for 4-hydroxy-3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methoxy]-N-(3-phenoxypropyl)benzamide is Cc1[nH]nc2ncc(COc3cc(C(=O)NCCCOc4ccccc4)ccc3O)cc12.
What is the InChIKey of 4-hydroxy-3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methoxy]-N-(3-phenoxypropyl)benzamide?
The InChIKey is STACLDGZQHBVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-16-20-12-17(14-26-23(20)28-27-16)15-32-22-13-18(8-9-21(22)29)24(30)25-10-5-11-31-19-6-3-2-4-7-19/h2-4,6-9,12-14,29H,5,10-11,15H2,1H3,(H,25,30)(H,26,27,28).
What are the key properties of 4-hydroxy-3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methoxy]-N-(3-phenoxypropyl)benzamide?
4-hydroxy-3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methoxy]-N-(3-phenoxypropyl)benzamide has a molecular weight of 432.48 g/mol, XLogP of 3.75, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methoxy]-N-(3-phenoxypropyl)benzamide is sourced from PubChem (CID 170897937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).