N-benzyl-N-[1-(2-methoxyphenyl)propan-2-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C27H30N4O2 — CID 47087025

IUPACN-benzyl-N-[1-(2-methoxyphenyl)propan-2-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOc1ccccc1CC(C)N(Cc1ccccc1)C(=O)c1cc(C)nc2c1c(C)nn2C
InChIInChI=1S/C27H30N4O2/c1-18-15-23(25-20(3)29-30(4)26(25)28-18)27(32)31(17-21-11-7-6-8-12-21)19(2)16-22-13-9-10-14-24(22)33-5/h6-15,19H,16-17H2,1-5H3
InChIKeyVEMOKVMCGJCIBO-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.87
Rot. Bonds7

About N-benzyl-N-[1-(2-methoxyphenyl)propan-2-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-benzyl-N-[1-(2-methoxyphenyl)propan-2-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 47087025) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-benzyl-N-[1-(2-methoxyphenyl)propan-2-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[1-(2-methoxyphenyl)propan-2-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID47087025
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC NameN-benzyl-N-[1-(2-methoxyphenyl)propan-2-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOc1ccccc1CC(C)N(Cc1ccccc1)C(=O)c1cc(C)nc2c1c(C)nn2C
InChIInChI=1S/C27H30N4O2/c1-18-15-23(25-20(3)29-30(4)26(25)28-18)27(32)31(17-21-11-7-6-8-12-21)19(2)16-22-13-9-10-14-24(22)33-5/h6-15,19H,16-17H2,1-5H3
InChIKeyVEMOKVMCGJCIBO-UHFFFAOYSA-N
XLogP4.87
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N,1,3-trimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30375494
N-benzyl-3,4,5-trimethoxy-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]benzamide
CID 52501698
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 55952631
N-(2-aminoethyl)-1,3,6-trimethyl-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 120884432
2-amino-N-benzyl-N-[1-(2-methoxyphenyl)propan-2-yl]acetamide;hydrochloride
CID 119309200
N-[1-(2-methoxyphenyl)ethyl]-N,1,3-trimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46588315
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 31757976
N-[2-(2-ethylanilino)-2-oxoethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 51335183
1,3,6-trimethyl-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 32753002
N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 86904109
1-benzyl-3-[(2-methoxyphenyl)methyl]-1-propan-2-ylurea
CID 108897327
6-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 31700057

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[1-(2-methoxyphenyl)propan-2-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-benzyl-N-[1-(2-methoxyphenyl)propan-2-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 47087025) is N-benzyl-N-[1-(2-methoxyphenyl)propan-2-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-[1-(2-methoxyphenyl)propan-2-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-benzyl-N-[1-(2-methoxyphenyl)propan-2-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is COc1ccccc1CC(C)N(Cc1ccccc1)C(=O)c1cc(C)nc2c1c(C)nn2C.
What is the InChIKey of N-benzyl-N-[1-(2-methoxyphenyl)propan-2-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is VEMOKVMCGJCIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-18-15-23(25-20(3)29-30(4)26(25)28-18)27(32)31(17-21-11-7-6-8-12-21)19(2)16-22-13-9-10-14-24(22)33-5/h6-15,19H,16-17H2,1-5H3.
What are the key properties of N-benzyl-N-[1-(2-methoxyphenyl)propan-2-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-benzyl-N-[1-(2-methoxyphenyl)propan-2-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[1-(2-methoxyphenyl)propan-2-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 47087025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).