3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-propan-2-yloxybenzamide

C18H20N4O3 — CID 86843240

IUPAC3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)Nc2cnc3n[nH]c(C)c3c2)ccc1OC(C)C
InChIInChI=1S/C18H20N4O3/c1-10(2)25-15-6-5-12(7-16(15)24-4)18(23)20-13-8-14-11(3)21-22-17(14)19-9-13/h5-10H,1-4H3,(H,20,23)(H,19,21,22)
InChIKeyKROOPEJEPIQMGV-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.31
Rot. Bonds5

About 3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-propan-2-yloxybenzamide

3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-propan-2-yloxybenzamide (PubChem CID 86843240) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-propan-2-yloxybenzamide
PubChem CID86843240
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)Nc2cnc3n[nH]c(C)c3c2)ccc1OC(C)C
InChIInChI=1S/C18H20N4O3/c1-10(2)25-15-6-5-12(7-16(15)24-4)18(23)20-13-8-14-11(3)21-22-17(14)19-9-13/h5-10H,1-4H3,(H,20,23)(H,19,21,22)
InChIKeyKROOPEJEPIQMGV-UHFFFAOYSA-N
XLogP3.31
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-(4-methylphenyl)-4-propan-2-yloxybenzamide
CID 6457881
N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2223889
N-(3-hydroxy-2-pyridinyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 46663784
3,4,5-trimethoxy-N-(3-methoxy-4-propan-2-yloxyphenyl)benzamide
CID 26435232
N-(3,4-difluorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 51159004
3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide
CID 46674292
3-methoxy-N-(4-methyl-3-sulfamoylphenyl)-4-propan-2-yloxybenzamide
CID 46520822
2,3,4-trimethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
CID 7972045
N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
3-methoxy-N-naphthalen-1-yl-4-propan-2-yloxybenzamide
CID 112762780
N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5-methylpyrazine-2-carbohydrazide
CID 18266699
N-(5-amino-2-methylphenyl)-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride
CID 120568157

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-propan-2-yloxybenzamide?
The IUPAC name of 3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-propan-2-yloxybenzamide (CID 86843240) is 3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-propan-2-yloxybenzamide is COc1cc(C(=O)Nc2cnc3n[nH]c(C)c3c2)ccc1OC(C)C.
What is the InChIKey of 3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-propan-2-yloxybenzamide?
The InChIKey is KROOPEJEPIQMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-10(2)25-15-6-5-12(7-16(15)24-4)18(23)20-13-8-14-11(3)21-22-17(14)19-9-13/h5-10H,1-4H3,(H,20,23)(H,19,21,22).
What are the key properties of 3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-propan-2-yloxybenzamide?
3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-propan-2-yloxybenzamide has a molecular weight of 340.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 86843240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).