N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H23ClN6O2 — CID 55661587

IUPACN-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ncc2c(C(=O)Nc3ccc(N4CCNC(=O)C4)c(Cl)c3)cc(-c3ccccc3)nc21
InChIInChI=1S/C25H23ClN6O2/c1-2-32-24-19(14-28-32)18(13-21(30-24)16-6-4-3-5-7-16)25(34)29-17-8-9-22(20(26)12-17)31-11-10-27-23(33)15-31/h3-9,12-14H,2,10-11,15H2,1H3,(H,27,33)(H,29,34)
InChIKeyCRVQCZAYMDJPAA-UHFFFAOYSA-N
MW474.95 g/mol
LogP3.96
Rot. Bonds5

About N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55661587) has the molecular formula C25H23ClN6O2 and a molecular weight of 474.95 g/mol. Its IUPAC name is N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55661587
Molecular FormulaC25H23ClN6O2
Molecular Weight474.95 g/mol
Exact Mass474.16
IUPAC NameN-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ncc2c(C(=O)Nc3ccc(N4CCNC(=O)C4)c(Cl)c3)cc(-c3ccccc3)nc21
InChIInChI=1S/C25H23ClN6O2/c1-2-32-24-19(14-28-32)18(13-21(30-24)16-6-4-3-5-7-16)25(34)29-17-8-9-22(20(26)12-17)31-11-10-27-23(33)15-31/h3-9,12-14H,2,10-11,15H2,1H3,(H,27,33)(H,29,34)
InChIKeyCRVQCZAYMDJPAA-UHFFFAOYSA-N
XLogP3.96
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.95
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyanophenyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16590998
1-ethyl-N-(1-ethyl-6-oxo-3-pyridinyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60556984
2-benzoyl-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide
CID 60510122
N-(1-benzylpyrazol-4-yl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55982114
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(4-methoxyanilino)benzamide
CID 60509898
1-ethyl-6-phenyl-N-[3-(1,3-thiazol-2-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55817372
1-ethyl-6-phenyl-N-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 25400422
N-(2,4-dimethylphenyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44823079
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17462030
N-(2-cyclopentylpyrazol-3-yl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55499093
1-ethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55677068
1-ethyl-6-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 78859789

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55661587) is N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is CCn1ncc2c(C(=O)Nc3ccc(N4CCNC(=O)C4)c(Cl)c3)cc(-c3ccccc3)nc21.
What is the InChIKey of N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is CRVQCZAYMDJPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN6O2/c1-2-32-24-19(14-28-32)18(13-21(30-24)16-6-4-3-5-7-16)25(34)29-17-8-9-22(20(26)12-17)31-11-10-27-23(33)15-31/h3-9,12-14H,2,10-11,15H2,1H3,(H,27,33)(H,29,34).
What are the key properties of N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 474.95 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55661587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).