6-(4-chlorophenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

C27H21ClN4O — CID 46364926

IUPAC6-(4-chlorophenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(-c2ccc(Cl)cc2)nc2n[nH]c(-c3ccccc3)c12
InChIInChI=1S/C27H21ClN4O/c28-21-13-11-19(12-14-21)23-17-22(27(33)29-16-15-18-7-3-1-4-8-18)24-25(31-32-26(24)30-23)20-9-5-2-6-10-20/h1-14,17H,15-16H2,(H,29,33)(H,30,31,32)
InChIKeyUXBRSSUVARZGPX-UHFFFAOYSA-N
MW452.95 g/mol
LogP5.92
Rot. Bonds6

About 6-(4-chlorophenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

6-(4-chlorophenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 46364926) has the molecular formula C27H21ClN4O and a molecular weight of 452.95 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID46364926
Molecular FormulaC27H21ClN4O
Molecular Weight452.95 g/mol
Exact Mass452.14
IUPAC Name6-(4-chlorophenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(-c2ccc(Cl)cc2)nc2n[nH]c(-c3ccccc3)c12
InChIInChI=1S/C27H21ClN4O/c28-21-13-11-19(12-14-21)23-17-22(27(33)29-16-15-18-7-3-1-4-8-18)24-25(31-32-26(24)30-23)20-9-5-2-6-10-20/h1-14,17H,15-16H2,(H,29,33)(H,30,31,32)
InChIKeyUXBRSSUVARZGPX-UHFFFAOYSA-N
XLogP5.92
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.95
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 15988341
6-(4-chlorophenyl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364939
6-(4-chlorophenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548743
4-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxamide
CID 6625236
N-benzyl-3-(4-bromophenyl)-6-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364893
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
N-(3-methoxypropyl)-3-phenyl-6-(2,3,4-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 22426212
6-(2-methoxyphenyl)-3-(4-methylphenyl)-N-pentyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364772
ethyl 6-(4-methoxycarbonylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 155684834
5-chloro-2-hydroxy-N-[2-(4-phenylphenyl)ethyl]benzamide
CID 90932345
5-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide
CID 16651429
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (CID 46364926) is 6-(4-chlorophenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is O=C(NCCc1ccccc1)c1cc(-c2ccc(Cl)cc2)nc2n[nH]c(-c3ccccc3)c12.
What is the InChIKey of 6-(4-chlorophenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is UXBRSSUVARZGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN4O/c28-21-13-11-19(12-14-21)23-17-22(27(33)29-16-15-18-7-3-1-4-8-18)24-25(31-32-26(24)30-23)20-9-5-2-6-10-20/h1-14,17H,15-16H2,(H,29,33)(H,30,31,32).
What are the key properties of 6-(4-chlorophenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
6-(4-chlorophenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 452.95 g/mol, XLogP of 5.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46364926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).