N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide

C23H16ClN5O3 — CID 78889380

IUPACN-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)Nc3ccc(N4C(=O)c5ccccc5C4=O)c(Cl)c3)cc12
InChIInChI=1S/C23H16ClN5O3/c1-12-17-9-13(11-25-20(17)28(2)27-12)21(30)26-14-7-8-19(18(24)10-14)29-22(31)15-5-3-4-6-16(15)23(29)32/h3-11H,1-2H3,(H,26,30)
InChIKeyHCCHCMNBMRRAIK-UHFFFAOYSA-N
MW445.87 g/mol
LogP3.98
Rot. Bonds3

About N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide

N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 78889380) has the molecular formula C23H16ClN5O3 and a molecular weight of 445.87 g/mol. Its IUPAC name is N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID78889380
Molecular FormulaC23H16ClN5O3
Molecular Weight445.87 g/mol
Exact Mass445.09
IUPAC NameN-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)Nc3ccc(N4C(=O)c5ccccc5C4=O)c(Cl)c3)cc12
InChIInChI=1S/C23H16ClN5O3/c1-12-17-9-13(11-25-20(17)28(2)27-12)21(30)26-14-7-8-19(18(24)10-14)29-22(31)15-5-3-4-6-16(15)23(29)32/h3-11H,1-2H3,(H,26,30)
InChIKeyHCCHCMNBMRRAIK-UHFFFAOYSA-N
XLogP3.98
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.87
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-cyanophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839832
N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839537
N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31316920
N-[4-(diethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 30898812
1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyrazole-4-carboxamide
CID 49158796
N-[4-(2-hydroxyethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 110902184
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 87008563
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 55778860
1,3-dimethyl-N-(4-pyrimidin-2-yloxyphenyl)pyrazolo[5,4-b]pyridine-5-carboxamide
CID 87010918
methyl 4-chloro-3-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]benzoate
CID 78839848
N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 39997561
N-[4-acetamido-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839498

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 78889380) is N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(C)c2ncc(C(=O)Nc3ccc(N4C(=O)c5ccccc5C4=O)c(Cl)c3)cc12.
What is the InChIKey of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is HCCHCMNBMRRAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN5O3/c1-12-17-9-13(11-25-20(17)28(2)27-12)21(30)26-14-7-8-19(18(24)10-14)29-22(31)15-5-3-4-6-16(15)23(29)32/h3-11H,1-2H3,(H,26,30).
What are the key properties of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 445.87 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 78889380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).