N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C24H22ClN5O3 — CID 24600279

IUPACN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)cc(-c3ccco3)nc21
InChIInChI=1S/C24H22ClN5O3/c1-14(2)30-23-17(13-26-30)16(12-19(28-23)21-5-4-10-33-21)24(32)27-15-7-8-20(18(25)11-15)29-9-3-6-22(29)31/h4-5,7-8,10-14H,3,6,9H2,1-2H3,(H,27,32)
InChIKeyMMTVDSUTRRDDAV-UHFFFAOYSA-N
MW463.93 g/mol
LogP5.30
Rot. Bonds5

About N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 24600279) has the molecular formula C24H22ClN5O3 and a molecular weight of 463.93 g/mol. Its IUPAC name is N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID24600279
Molecular FormulaC24H22ClN5O3
Molecular Weight463.93 g/mol
Exact Mass463.14
IUPAC NameN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)cc(-c3ccco3)nc21
InChIInChI=1S/C24H22ClN5O3/c1-14(2)30-23-17(13-26-30)16(12-19(28-23)21-5-4-10-33-21)24(32)27-15-7-8-20(18(25)11-15)29-9-3-6-22(29)31/h4-5,7-8,10-14H,3,6,9H2,1-2H3,(H,27,32)
InChIKeyMMTVDSUTRRDDAV-UHFFFAOYSA-N
XLogP5.30
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.93
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(furan-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24601134
6-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24574898
6-(furan-2-yl)-N-(1H-indazol-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134037517
N-[4-(ethylcarbamoyl)phenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55802028
S-[4-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529535
methyl 2-[[4-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]benzoyl]amino]acetate
CID 33088168
6-(furan-2-yl)-1-propan-2-yl-N-[4-(sulfamoylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24676072
6-(2,5-dimethylthiophen-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16582727
N-(5-bromo-2-methylphenyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55804253
methyl 2-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-2-methylpropanoate
CID 30875618
N-[4-(dimethylamino)-2-methylphenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55780289
N-[3-(aminomethyl)pentan-3-yl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119571803

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 24600279) is N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)cc(-c3ccco3)nc21.
What is the InChIKey of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is MMTVDSUTRRDDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O3/c1-14(2)30-23-17(13-26-30)16(12-19(28-23)21-5-4-10-33-21)24(32)27-15-7-8-20(18(25)11-15)29-9-3-6-22(29)31/h4-5,7-8,10-14H,3,6,9H2,1-2H3,(H,27,32).
What are the key properties of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 463.93 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 24600279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).