4-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide

C22H20ClN5O — CID 7192132

IUPAC4-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(N(C)C)cc3)c(Cl)c12
InChIInChI=1S/C22H20ClN5O/c1-14-19-20(23)18(22(29)25-15-9-11-16(12-10-15)27(2)3)13-24-21(19)28(26-14)17-7-5-4-6-8-17/h4-13H,1-3H3,(H,25,29)
InChIKeyNXYMHJCSGJRZON-UHFFFAOYSA-N
MW405.89 g/mol
LogP4.70
Rot. Bonds4

About 4-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 7192132) has the molecular formula C22H20ClN5O and a molecular weight of 405.89 g/mol. Its IUPAC name is 4-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID7192132
Molecular FormulaC22H20ClN5O
Molecular Weight405.89 g/mol
Exact Mass405.14
IUPAC Name4-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(N(C)C)cc3)c(Cl)c12
InChIInChI=1S/C22H20ClN5O/c1-14-19-20(23)18(22(29)25-15-9-11-16(12-10-15)27(2)3)13-24-21(19)28(26-14)17-7-5-4-6-8-17/h4-13H,1-3H3,(H,25,29)
InChIKeyNXYMHJCSGJRZON-UHFFFAOYSA-N
XLogP4.70
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazolo[3,4-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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 7192132) is 4-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(N(C)C)cc3)c(Cl)c12.
What is the InChIKey of 4-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is NXYMHJCSGJRZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O/c1-14-19-20(23)18(22(29)25-15-9-11-16(12-10-15)27(2)3)13-24-21(19)28(26-14)17-7-5-4-6-8-17/h4-13H,1-3H3,(H,25,29).
What are the key properties of 4-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 405.89 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 7192132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).