3-[3-(cyclohexen-1-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide

C21H22N4O — CID 25144650

IUPAC3-[3-(cyclohexen-1-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2cnc3n[nH]c(C4=CCCCC4)c3c2)c1
InChIInChI=1S/C21H22N4O/c1-25(2)21(26)16-10-6-9-15(11-16)17-12-18-19(14-7-4-3-5-8-14)23-24-20(18)22-13-17/h6-7,9-13H,3-5,8H2,1-2H3,(H,22,23,24)
InChIKeyYAUSWNHNMRAFEY-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.28
Rot. Bonds3

About 3-[3-(cyclohexen-1-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide

3-[3-(cyclohexen-1-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide (PubChem CID 25144650) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-[3-(cyclohexen-1-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[3-(cyclohexen-1-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide
PubChem CID25144650
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name3-[3-(cyclohexen-1-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2cnc3n[nH]c(C4=CCCCC4)c3c2)c1
InChIInChI=1S/C21H22N4O/c1-25(2)21(26)16-10-6-9-15(11-16)17-12-18-19(14-7-4-3-5-8-14)23-24-20(18)22-13-17/h6-7,9-13H,3-5,8H2,1-2H3,(H,22,23,24)
InChIKeyYAUSWNHNMRAFEY-UHFFFAOYSA-N
XLogP4.28
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(4-amino-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 25145199
4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 59836016
N-[2-(dimethylamino)ethyl]-3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzamide
CID 59836155
3-[3-(3-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol
CID 164619573
N,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzamide;N,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzamide;[3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 160529452
3-[6-(azepan-1-yl)-3-pyridinyl]-N,N-dimethylbenzamide
CID 53150002
[3-[3-(2-ethylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 59836037
(1E,3E,7Z)-N,N-dimethyl-3-[3-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]cycloocta-1,3,7-triene-1-carboxamide
CID 145492483
fluoromethane;3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzonitrile
CID 143178956
N,N-dimethyl-3-(4-methylphenyl)benzamide
CID 121373381
3-(3H-benzimidazol-5-yl)-N,N-dimethylbenzamide
CID 175533007
[3-[3-(2,3-dihydro-1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 70840387

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclohexen-1-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[3-(cyclohexen-1-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide (CID 25144650) is 3-[3-(cyclohexen-1-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[3-(cyclohexen-1-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[3-(cyclohexen-1-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(-c2cnc3n[nH]c(C4=CCCCC4)c3c2)c1.
What is the InChIKey of 3-[3-(cyclohexen-1-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide?
The InChIKey is YAUSWNHNMRAFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-25(2)21(26)16-10-6-9-15(11-16)17-12-18-19(14-7-4-3-5-8-14)23-24-20(18)22-13-17/h6-7,9-13H,3-5,8H2,1-2H3,(H,22,23,24).
What are the key properties of 3-[3-(cyclohexen-1-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide?
3-[3-(cyclohexen-1-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide has a molecular weight of 346.43 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclohexen-1-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 25144650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).