N-[2-(4-chlorophenyl)ethyl]-6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H21ClN4O2 — CID 134788581

IUPACN-[2-(4-chlorophenyl)ethyl]-6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCCc2ccc(Cl)cc2)c2cnn(C)c2n1
InChIInChI=1S/C23H21ClN4O2/c1-28-22-19(14-26-28)18(13-20(27-22)17-5-3-4-6-21(17)30-2)23(29)25-12-11-15-7-9-16(24)10-8-15/h3-10,13-14H,11-12H2,1-2H3,(H,25,29)
InChIKeyVTCADBLTZDBOHD-UHFFFAOYSA-N
MW420.90 g/mol
LogP4.27
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134788581) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134788581
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCCc2ccc(Cl)cc2)c2cnn(C)c2n1
InChIInChI=1S/C23H21ClN4O2/c1-28-22-19(14-26-28)18(13-20(27-22)17-5-3-4-6-21(17)30-2)23(29)25-12-11-15-7-9-16(24)10-8-15/h3-10,13-14H,11-12H2,1-2H3,(H,25,29)
InChIKeyVTCADBLTZDBOHD-UHFFFAOYSA-N
XLogP4.27
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134788581) is N-[2-(4-chlorophenyl)ethyl]-6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccccc1-c1cc(C(=O)NCCc2ccc(Cl)cc2)c2cnn(C)c2n1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is VTCADBLTZDBOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-28-22-19(14-26-28)18(13-20(27-22)17-5-3-4-6-21(17)30-2)23(29)25-12-11-15-7-9-16(24)10-8-15/h3-10,13-14H,11-12H2,1-2H3,(H,25,29).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 420.90 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134788581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).