1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-ethylbutyl)pyrazolo[3,4-b]pyridine-5-carboxamide

C24H32N4O3 — CID 39482906

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-ethylbutyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCC(CC)CN(CC)C(=O)c1cnc2c(cnn2Cc2ccc(OC)cc2OC)c1
InChIInChI=1S/C24H32N4O3/c1-6-17(7-2)15-27(8-3)24(29)20-11-19-14-26-28(23(19)25-13-20)16-18-9-10-21(30-4)12-22(18)31-5/h9-14,17H,6-8,15-16H2,1-5H3
InChIKeyKYFHWYFMVGYTGO-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.40
Rot. Bonds10

About 1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-ethylbutyl)pyrazolo[3,4-b]pyridine-5-carboxamide

1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-ethylbutyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 39482906) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-ethylbutyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-ethylbutyl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID39482906
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-ethylbutyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCC(CC)CN(CC)C(=O)c1cnc2c(cnn2Cc2ccc(OC)cc2OC)c1
InChIInChI=1S/C24H32N4O3/c1-6-17(7-2)15-27(8-3)24(29)20-11-19-14-26-28(23(19)25-13-20)16-18-9-10-21(30-4)12-22(18)31-5/h9-14,17H,6-8,15-16H2,1-5H3
InChIKeyKYFHWYFMVGYTGO-UHFFFAOYSA-N
XLogP4.40
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carbonyl]-ethylamino]acetic acid
CID 120519814
N,1-bis[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 55632444
1-[(2,4-dimethoxyphenyl)methyl]-N-(4-methoxybutyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 55724733
1-[(2,4-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 55631434
1-[(2,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 55632859
1-[(2,4-dimethoxyphenyl)methyl]-N-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 124613648
N-(3-amino-2-methylpropyl)-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119998253
1-[(2,4-dimethoxyphenyl)methyl]-N-(4-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 55796905
N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 46410868
N-(1-amino-2-methylpropan-2-yl)-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 119523052
[1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78862511
methyl 2-[[1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carbonyl]amino]-2-methylpentanoate
CID 55670298

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-ethylbutyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-ethylbutyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 39482906) is 1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-ethylbutyl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-ethylbutyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-ethylbutyl)pyrazolo[3,4-b]pyridine-5-carboxamide is CCC(CC)CN(CC)C(=O)c1cnc2c(cnn2Cc2ccc(OC)cc2OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-ethylbutyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is KYFHWYFMVGYTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-6-17(7-2)15-27(8-3)24(29)20-11-19-14-26-28(23(19)25-13-20)16-18-9-10-21(30-4)12-22(18)31-5/h9-14,17H,6-8,15-16H2,1-5H3.
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-ethylbutyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-ethylbutyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 4.40, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-ethylbutyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 39482906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).