N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide

C26H24N6O — CID 19489246

IUPACN-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide
SMILESCc1ccc(Cn2cc(NC(=O)Cn3nc(C)c4c(-c5ccccc5)ccnc43)cn2)cc1
InChIInChI=1S/C26H24N6O/c1-18-8-10-20(11-9-18)15-31-16-22(14-28-31)29-24(33)17-32-26-25(19(2)30-32)23(12-13-27-26)21-6-4-3-5-7-21/h3-14,16H,15,17H2,1-2H3,(H,29,33)
InChIKeyYYVICGPGBVXNSR-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.60
Rot. Bonds6

About N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide

N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide (PubChem CID 19489246) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide
PubChem CID19489246
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC NameN-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide
SMILESCc1ccc(Cn2cc(NC(=O)Cn3nc(C)c4c(-c5ccccc5)ccnc43)cn2)cc1
InChIInChI=1S/C26H24N6O/c1-18-8-10-20(11-9-18)15-31-16-22(14-28-31)29-24(33)17-32-26-25(19(2)30-32)23(12-13-27-26)21-6-4-3-5-7-21/h3-14,16H,15,17H2,1-2H3,(H,29,33)
InChIKeyYYVICGPGBVXNSR-UHFFFAOYSA-N
XLogP4.60
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]acetamide
CID 19487169
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19487111
2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide
CID 19470322
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19489357
N-(1-ethylpyrazol-4-yl)-2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19485199
N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19469904
2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 19487000
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19487515
N-[4-bromo-1-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19487188
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19505987
2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 19487510
N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19487060

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide?
The IUPAC name of N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide (CID 19489246) is N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide.
What is the SMILES notation for N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide?
The canonical SMILES for N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide is Cc1ccc(Cn2cc(NC(=O)Cn3nc(C)c4c(-c5ccccc5)ccnc43)cn2)cc1.
What is the InChIKey of N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide?
The InChIKey is YYVICGPGBVXNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O/c1-18-8-10-20(11-9-18)15-31-16-22(14-28-31)29-24(33)17-32-26-25(19(2)30-32)23(12-13-27-26)21-6-4-3-5-7-21/h3-14,16H,15,17H2,1-2H3,(H,29,33).
What are the key properties of N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide?
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide has a molecular weight of 436.52 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 19489246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).