1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide

C21H25N5O2 — CID 86840006

IUPAC1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCCN(CC(=O)N(C)C)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1
InChIInChI=1S/C21H25N5O2/c1-4-10-25(15-19(27)24(2)3)21(28)18-11-17-13-23-26(20(17)22-12-18)14-16-8-6-5-7-9-16/h5-9,11-13H,4,10,14-15H2,1-3H3
InChIKeySUNZUVLQLQKGOF-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.42
Rot. Bonds7

About 1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide

1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 86840006) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID86840006
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCCN(CC(=O)N(C)C)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1
InChIInChI=1S/C21H25N5O2/c1-4-10-25(15-19(27)24(2)3)21(28)18-11-17-13-23-26(20(17)22-12-18)14-16-8-6-5-7-9-16/h5-9,11-13H,4,10,14-15H2,1-3H3
InChIKeySUNZUVLQLQKGOF-UHFFFAOYSA-N
XLogP2.42
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N,N-dipropylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 78839414
1-benzyl-N-methoxy-N-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24688178
1-benzyl-N-(2-ethoxyethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 87020146
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 166194053
1-benzyl-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 99818647
1-benzyl-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 78891757
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(4-ethylpiperazin-1-yl)methanone
CID 78836734
1-benzyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 43042463
1-benzyl-N-(1-hydroxybutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 110886300
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 86917444
1-benzyl-N-(1-hydroxypropan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 78856623
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-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 86840006) is 1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide is CCCN(CC(=O)N(C)C)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is SUNZUVLQLQKGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-4-10-25(15-19(27)24(2)3)21(28)18-11-17-13-23-26(20(17)22-12-18)14-16-8-6-5-7-9-16/h5-9,11-13H,4,10,14-15H2,1-3H3.
What are the key properties of 1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide?
1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 86840006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).