(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C26H24N4O — CID 146125041

IUPAC(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCc1ccc(C2=CCN(C(=O)c3cnc4c(cnn4Cc4ccccc4)c3)CC2)cc1
InChIInChI=1S/C26H24N4O/c1-19-7-9-21(10-8-19)22-11-13-29(14-12-22)26(31)24-15-23-17-28-30(25(23)27-16-24)18-20-5-3-2-4-6-20/h2-11,15-17H,12-14,18H2,1H3
InChIKeyZWFJGAVBHCDWAY-UHFFFAOYSA-N
MW408.51 g/mol
LogP4.72
Rot. Bonds4

About (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 146125041) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID146125041
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC Name(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCc1ccc(C2=CCN(C(=O)c3cnc4c(cnn4Cc4ccccc4)c3)CC2)cc1
InChIInChI=1S/C26H24N4O/c1-19-7-9-21(10-8-19)22-11-13-29(14-12-22)26(31)24-15-23-17-28-30(25(23)27-16-24)18-20-5-3-2-4-6-20/h2-11,15-17H,12-14,18H2,1H3
InChIKeyZWFJGAVBHCDWAY-UHFFFAOYSA-N
XLogP4.72
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 86917444
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(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-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 31116432
1-benzyl-N,N-dipropylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 78839414
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 78836996
1-benzyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 43042463
1-benzyl-N-(3-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24624200
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-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 24622694
1-benzyl-N-(1-hydroxypropan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 146125041) is (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is Cc1ccc(C2=CCN(C(=O)c3cnc4c(cnn4Cc4ccccc4)c3)CC2)cc1.
What is the InChIKey of (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is ZWFJGAVBHCDWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O/c1-19-7-9-21(10-8-19)22-11-13-29(14-12-22)26(31)24-15-23-17-28-30(25(23)27-16-24)18-20-5-3-2-4-6-20/h2-11,15-17H,12-14,18H2,1H3.
What are the key properties of (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 408.51 g/mol, XLogP of 4.72, 4 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)-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 146125041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).