N,6-dimethyl-1-[(4-methylphenyl)methyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide

C28H31N5O2 — CID 46636760

IUPACN,6-dimethyl-1-[(4-methylphenyl)methyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1ccc(Cn2ncc3c(C(=O)N(C)CC(=O)Nc4c(C)cc(C)cc4C)cc(C)nc32)cc1
InChIInChI=1S/C28H31N5O2/c1-17-7-9-22(10-8-17)15-33-27-24(14-29-33)23(13-21(5)30-27)28(35)32(6)16-25(34)31-26-19(3)11-18(2)12-20(26)4/h7-14H,15-16H2,1-6H3,(H,31,34)
InChIKeyGBMUEQNJZDFYLL-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.73
Rot. Bonds6

About N,6-dimethyl-1-[(4-methylphenyl)methyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide

N,6-dimethyl-1-[(4-methylphenyl)methyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 46636760) has the molecular formula C28H31N5O2 and a molecular weight of 469.59 g/mol. Its IUPAC name is N,6-dimethyl-1-[(4-methylphenyl)methyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-1-[(4-methylphenyl)methyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID46636760
Molecular FormulaC28H31N5O2
Molecular Weight469.59 g/mol
Exact Mass469.25
IUPAC NameN,6-dimethyl-1-[(4-methylphenyl)methyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1ccc(Cn2ncc3c(C(=O)N(C)CC(=O)Nc4c(C)cc(C)cc4C)cc(C)nc32)cc1
InChIInChI=1S/C28H31N5O2/c1-17-7-9-22(10-8-17)15-33-27-24(14-29-33)23(13-21(5)30-27)28(35)32(6)16-25(34)31-26-19(3)11-18(2)12-20(26)4/h7-14H,15-16H2,1-6H3,(H,31,34)
InChIKeyGBMUEQNJZDFYLL-UHFFFAOYSA-N
XLogP4.73
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-1-[(4-methylphenyl)methyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N,6-dimethyl-1-[(4-methylphenyl)methyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide (CID 46636760) is N,6-dimethyl-1-[(4-methylphenyl)methyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N,6-dimethyl-1-[(4-methylphenyl)methyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N,6-dimethyl-1-[(4-methylphenyl)methyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1ccc(Cn2ncc3c(C(=O)N(C)CC(=O)Nc4c(C)cc(C)cc4C)cc(C)nc32)cc1.
What is the InChIKey of N,6-dimethyl-1-[(4-methylphenyl)methyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is GBMUEQNJZDFYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O2/c1-17-7-9-22(10-8-17)15-33-27-24(14-29-33)23(13-21(5)30-27)28(35)32(6)16-25(34)31-26-19(3)11-18(2)12-20(26)4/h7-14H,15-16H2,1-6H3,(H,31,34).
What are the key properties of N,6-dimethyl-1-[(4-methylphenyl)methyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
N,6-dimethyl-1-[(4-methylphenyl)methyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-1-[(4-methylphenyl)methyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46636760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).