4-chloro-1-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid

C18H19ClN4O2 — CID 126741649

IUPAC4-chloro-1-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCC(C)c1nn(-c2cccc(N(C)C)c2)c2nc(C(=O)O)cc(Cl)c12
InChIInChI=1S/C18H19ClN4O2/c1-10(2)16-15-13(19)9-14(18(24)25)20-17(15)23(21-16)12-7-5-6-11(8-12)22(3)4/h5-10H,1-4H3,(H,24,25)
InChIKeyMTQWULRRZAKPQQ-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.96
Rot. Bonds4

About 4-chloro-1-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid

4-chloro-1-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126741649) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is 4-chloro-1-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-chloro-1-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID126741649
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name4-chloro-1-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCC(C)c1nn(-c2cccc(N(C)C)c2)c2nc(C(=O)O)cc(Cl)c12
InChIInChI=1S/C18H19ClN4O2/c1-10(2)16-15-13(19)9-14(18(24)25)20-17(15)23(21-16)12-7-5-6-11(8-12)22(3)4/h5-10H,1-4H3,(H,24,25)
InChIKeyMTQWULRRZAKPQQ-UHFFFAOYSA-N
XLogP3.96
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-1-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid 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-1-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 4-chloro-1-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126741649) is 4-chloro-1-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-chloro-1-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 4-chloro-1-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is CC(C)c1nn(-c2cccc(N(C)C)c2)c2nc(C(=O)O)cc(Cl)c12.
What is the InChIKey of 4-chloro-1-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is MTQWULRRZAKPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-10(2)16-15-13(19)9-14(18(24)25)20-17(15)23(21-16)12-7-5-6-11(8-12)22(3)4/h5-10H,1-4H3,(H,24,25).
What are the key properties of 4-chloro-1-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
4-chloro-1-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 358.83 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126741649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).