1-benzyl-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide

C24H20ClN5O2 — CID 24625383

IUPAC1-benzyl-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1cnc2c(cnn2Cc2ccccc2)c1
InChIInChI=1S/C24H20ClN5O2/c25-20-12-19(8-9-21(20)29-10-4-7-22(29)31)28-24(32)18-11-17-14-27-30(23(17)26-13-18)15-16-5-2-1-3-6-16/h1-3,5-6,8-9,11-14H,4,7,10,15H2,(H,28,32)
InChIKeyUSJMQBSVTQJZRO-UHFFFAOYSA-N
MW445.91 g/mol
LogP4.51
Rot. Bonds5

About 1-benzyl-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide

1-benzyl-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 24625383) has the molecular formula C24H20ClN5O2 and a molecular weight of 445.91 g/mol. Its IUPAC name is 1-benzyl-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID24625383
Molecular FormulaC24H20ClN5O2
Molecular Weight445.91 g/mol
Exact Mass445.13
IUPAC Name1-benzyl-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1cnc2c(cnn2Cc2ccccc2)c1
InChIInChI=1S/C24H20ClN5O2/c25-20-12-19(8-9-21(20)29-10-4-7-22(29)31)28-24(32)18-11-17-14-27-30(23(17)26-13-18)15-16-5-2-1-3-6-16/h1-3,5-6,8-9,11-14H,4,7,10,15H2,(H,28,32)
InChIKeyUSJMQBSVTQJZRO-UHFFFAOYSA-N
XLogP4.51
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.91
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(3-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24624200
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]quinoxaline-2-carboxamide
CID 17452256
1-benzyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 32607487
1-benzyl-N-(4,5-dichloro-2-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 75468059
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24603747
1-benzyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24622914
1-benzyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24622636
1-benzyl-N-[4-(dimethylsulfamoyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 78836743
1-benzyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24624581
1-benzyl-N-(2-bromo-4-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 78891259
1-benzyl-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 78891757
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46692737

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-benzyl-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide (CID 24625383) is 1-benzyl-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-benzyl-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide is O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1cnc2c(cnn2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is USJMQBSVTQJZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O2/c25-20-12-19(8-9-21(20)29-10-4-7-22(29)31)28-24(32)18-11-17-14-27-30(23(17)26-13-18)15-16-5-2-1-3-6-16/h1-3,5-6,8-9,11-14H,4,7,10,15H2,(H,28,32).
What are the key properties of 1-benzyl-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
1-benzyl-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 445.91 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 24625383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).