N-[(4-methoxyphenyl)methyl]-N-methyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C26H28N4O2 — CID 30085573

IUPACN-[(4-methoxyphenyl)methyl]-N-methyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)cc1
InChIInChI=1S/C26H28N4O2/c1-17(2)30-25-23(15-27-30)22(14-24(28-25)21-9-7-6-8-18(21)3)26(31)29(4)16-19-10-12-20(32-5)13-11-19/h6-15,17H,16H2,1-5H3
InChIKeyMHXZZTXPCAPMII-UHFFFAOYSA-N
MW428.54 g/mol
LogP5.27
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-N-methyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[(4-methoxyphenyl)methyl]-N-methyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 30085573) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-methyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-methyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID30085573
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-methyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)cc1
InChIInChI=1S/C26H28N4O2/c1-17(2)30-25-23(15-27-30)22(14-24(28-25)21-9-7-6-8-18(21)3)26(31)29(4)16-19-10-12-20(32-5)13-11-19/h6-15,17H,16H2,1-5H3
InChIKeyMHXZZTXPCAPMII-UHFFFAOYSA-N
XLogP5.27
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 30085573) is N-[(4-methoxyphenyl)methyl]-N-methyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-methyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-methyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(CN(C)C(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-methyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is MHXZZTXPCAPMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-17(2)30-25-23(15-27-30)22(14-24(28-25)21-9-7-6-8-18(21)3)26(31)29(4)16-19-10-12-20(32-5)13-11-19/h6-15,17H,16H2,1-5H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-methyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[(4-methoxyphenyl)methyl]-N-methyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-methyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 30085573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).