(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone

C21H24N4O — CID 86917444

IUPAC(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cnc3c(cnn3Cc3ccccc3)c2)C1
InChIInChI=1S/C21H24N4O/c1-15-8-16(2)13-24(12-15)21(26)19-9-18-11-23-25(20(18)22-10-19)14-17-6-4-3-5-7-17/h3-7,9-11,15-16H,8,12-14H2,1-2H3
InChIKeyVSEARBOJMPVGTA-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.60
Rot. Bonds3

About (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone

(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 86917444) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID86917444
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cnc3c(cnn3Cc3ccccc3)c2)C1
InChIInChI=1S/C21H24N4O/c1-15-8-16(2)13-24(12-15)21(26)19-9-18-11-23-25(20(18)22-10-19)14-17-6-4-3-5-7-17/h3-7,9-11,15-16H,8,12-14H2,1-2H3
InChIKeyVSEARBOJMPVGTA-UHFFFAOYSA-N
XLogP3.60
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 166194053
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(4-ethylpiperazin-1-yl)methanone
CID 78836734
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 31116432
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 146125041
1-benzyl-N,N-dipropylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 78839414
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 24622694
1-benzyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 43042463
1-benzyl-N-methoxy-N-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24688178
1-[(4-tert-butylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 16778913
(1-cyclopentylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 71880992
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 78836996
1-benzyl-N-(1-hydroxypropan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 78856623

Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone (CID 86917444) is (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone is CC1CC(C)CN(C(=O)c2cnc3c(cnn3Cc3ccccc3)c2)C1.
What is the InChIKey of (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is VSEARBOJMPVGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-8-16(2)13-24(12-15)21(26)19-9-18-11-23-25(20(18)22-10-19)14-17-6-4-3-5-7-17/h3-7,9-11,15-16H,8,12-14H2,1-2H3.
What are the key properties of (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 348.45 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 86917444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).