6-(3,5-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H18Cl2N4O2 — CID 134797565

IUPAC6-(3,5-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)nc3c2cnn3C)c1
InChIInChI=1S/C22H18Cl2N4O2/c1-28-21-19(12-26-28)18(10-20(27-21)14-7-15(23)9-16(24)8-14)22(29)25-11-13-4-3-5-17(6-13)30-2/h3-10,12H,11H2,1-2H3,(H,25,29)
InChIKeyRZHGHMVOJDPYRT-UHFFFAOYSA-N
MW441.32 g/mol
LogP4.88
Rot. Bonds5

About 6-(3,5-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

6-(3,5-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134797565) has the molecular formula C22H18Cl2N4O2 and a molecular weight of 441.32 g/mol. Its IUPAC name is 6-(3,5-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(3,5-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134797565
Molecular FormulaC22H18Cl2N4O2
Molecular Weight441.32 g/mol
Exact Mass440.08
IUPAC Name6-(3,5-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)nc3c2cnn3C)c1
InChIInChI=1S/C22H18Cl2N4O2/c1-28-21-19(12-26-28)18(10-20(27-21)14-7-15(23)9-16(24)8-14)22(29)25-11-13-4-3-5-17(6-13)30-2/h3-10,12H,11H2,1-2H3,(H,25,29)
InChIKeyRZHGHMVOJDPYRT-UHFFFAOYSA-N
XLogP4.88
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.32
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(3,5-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134797565) is 6-(3,5-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(3,5-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(3,5-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1cccc(CNC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)nc3c2cnn3C)c1.
What is the InChIKey of 6-(3,5-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is RZHGHMVOJDPYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4O2/c1-28-21-19(12-26-28)18(10-20(27-21)14-7-15(23)9-16(24)8-14)22(29)25-11-13-4-3-5-17(6-13)30-2/h3-10,12H,11H2,1-2H3,(H,25,29).
What are the key properties of 6-(3,5-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-(3,5-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 441.32 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134797565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).