1-benzyl-N,N-dipropylpyrazolo[3,4-b]pyridine-5-carboxamide

C20H24N4O — CID 78839414

IUPAC1-benzyl-N,N-dipropylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCCN(CCC)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1
InChIInChI=1S/C20H24N4O/c1-3-10-23(11-4-2)20(25)18-12-17-14-22-24(19(17)21-13-18)15-16-8-6-5-7-9-16/h5-9,12-14H,3-4,10-11,15H2,1-2H3
InChIKeyRHRBWBPSVZFXDR-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.74
Rot. Bonds7

About 1-benzyl-N,N-dipropylpyrazolo[3,4-b]pyridine-5-carboxamide

1-benzyl-N,N-dipropylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 78839414) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-benzyl-N,N-dipropylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N,N-dipropylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID78839414
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name1-benzyl-N,N-dipropylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCCN(CCC)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1
InChIInChI=1S/C20H24N4O/c1-3-10-23(11-4-2)20(25)18-12-17-14-22-24(19(17)21-13-18)15-16-8-6-5-7-9-16/h5-9,12-14H,3-4,10-11,15H2,1-2H3
InChIKeyRHRBWBPSVZFXDR-UHFFFAOYSA-N
XLogP3.74
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 86840006
1-benzyl-N-methoxy-N-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24688178
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(4-ethylpiperazin-1-yl)methanone
CID 78836734
1-benzyl-N-(2-ethoxyethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 87020146
N-(2-aminoethyl)-1-(2-methylpropyl)-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 120886892
1-benzyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 43042463
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 166194053
1-benzyl-N-(1-hydroxybutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 110886300
1-benzyl-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 99818647
1-benzyl-N-(1-hydroxypropan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 78856623
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 86917444
1-benzyl-N-(2-pyridin-3-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 31399390

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N,N-dipropylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-benzyl-N,N-dipropylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 78839414) is 1-benzyl-N,N-dipropylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-benzyl-N,N-dipropylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-benzyl-N,N-dipropylpyrazolo[3,4-b]pyridine-5-carboxamide is CCCN(CCC)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N,N-dipropylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is RHRBWBPSVZFXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-3-10-23(11-4-2)20(25)18-12-17-14-22-24(19(17)21-13-18)15-16-8-6-5-7-9-16/h5-9,12-14H,3-4,10-11,15H2,1-2H3.
What are the key properties of 1-benzyl-N,N-dipropylpyrazolo[3,4-b]pyridine-5-carboxamide?
1-benzyl-N,N-dipropylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N,N-dipropylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 78839414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).