1-(2-chlorophenyl)-3,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

C21H24ClN5O2 — CID 20863946

IUPAC1-(2-chlorophenyl)-3,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCN2CCOCC2)c2c(C)nn(-c3ccccc3Cl)c2n1
InChIInChI=1S/C21H24ClN5O2/c1-14-13-16(21(28)23-7-8-26-9-11-29-12-10-26)19-15(2)25-27(20(19)24-14)18-6-4-3-5-17(18)22/h3-6,13H,7-12H2,1-2H3,(H,23,28)
InChIKeyQZCSPMMYFOHOKA-UHFFFAOYSA-N
MW413.91 g/mol
LogP2.75
Rot. Bonds5

About 1-(2-chlorophenyl)-3,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

1-(2-chlorophenyl)-3,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 20863946) has the molecular formula C21H24ClN5O2 and a molecular weight of 413.91 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID20863946
Molecular FormulaC21H24ClN5O2
Molecular Weight413.91 g/mol
Exact Mass413.16
IUPAC Name1-(2-chlorophenyl)-3,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCN2CCOCC2)c2c(C)nn(-c3ccccc3Cl)c2n1
InChIInChI=1S/C21H24ClN5O2/c1-14-13-16(21(28)23-7-8-26-9-11-29-12-10-26)19-15(2)25-27(20(19)24-14)18-6-4-3-5-17(18)22/h3-6,13H,7-12H2,1-2H3,(H,23,28)
InChIKeyQZCSPMMYFOHOKA-UHFFFAOYSA-N
XLogP2.75
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-benzylpiperidin-1-yl)ethyl]-1-(2-chlorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20863964
1-(3-fluorophenyl)-3,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928060
[1-(2-chlorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 20863971
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
1,3,7-trimethyl-N-(2-morpholin-4-ylethyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 53007746
4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626649
1-(2-chlorophenyl)-N-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20863988
1-(2-chlorophenyl)-3,6-dimethyl-N-[(2S)-4-phenylbutan-2-yl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 92665267
1,3-dimethyl-N-(4-morpholin-4-ylbutyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55811199
5-methyl-1-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazole-3-carboxamide
CID 42692587
1-(2-chlorophenyl)-3-(furan-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 1053753
1-(3-chloro-2-methylphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927998

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-3,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 20863946) is 1-(2-chlorophenyl)-3,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-3,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-3,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCCN2CCOCC2)c2c(C)nn(-c3ccccc3Cl)c2n1.
What is the InChIKey of 1-(2-chlorophenyl)-3,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is QZCSPMMYFOHOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O2/c1-14-13-16(21(28)23-7-8-26-9-11-29-12-10-26)19-15(2)25-27(20(19)24-14)18-6-4-3-5-17(18)22/h3-6,13H,7-12H2,1-2H3,(H,23,28).
What are the key properties of 1-(2-chlorophenyl)-3,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
1-(2-chlorophenyl)-3,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 413.91 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 20863946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).