4-chloro-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]aniline

C15H15ClN4 — CID 62404398

IUPAC4-chloro-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]aniline
SMILESCc1nn(C)c2ncc(CNc3ccc(Cl)cc3)cc12
InChIInChI=1S/C15H15ClN4/c1-10-14-7-11(9-18-15(14)20(2)19-10)8-17-13-5-3-12(16)4-6-13/h3-7,9,17H,8H2,1-2H3
InChIKeyFQAKHHLULVZGJA-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.54
Rot. Bonds3

About 4-chloro-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]aniline

4-chloro-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]aniline (PubChem CID 62404398) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 4-chloro-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]aniline
PubChem CID62404398
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name4-chloro-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]aniline
SMILESCc1nn(C)c2ncc(CNc3ccc(Cl)cc3)cc12
InChIInChI=1S/C15H15ClN4/c1-10-14-7-11(9-18-15(14)20(2)19-10)8-17-13-5-3-12(16)4-6-13/h3-7,9,17H,8H2,1-2H3
InChIKeyFQAKHHLULVZGJA-UHFFFAOYSA-N
XLogP3.54
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]aniline 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-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]aniline?
The IUPAC name of 4-chloro-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]aniline (CID 62404398) is 4-chloro-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]aniline.
What is the SMILES notation for 4-chloro-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]aniline?
The canonical SMILES for 4-chloro-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]aniline is Cc1nn(C)c2ncc(CNc3ccc(Cl)cc3)cc12.
What is the InChIKey of 4-chloro-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]aniline?
The InChIKey is FQAKHHLULVZGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-10-14-7-11(9-18-15(14)20(2)19-10)8-17-13-5-3-12(16)4-6-13/h3-7,9,17H,8H2,1-2H3.
What are the key properties of 4-chloro-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]aniline?
4-chloro-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]aniline has a molecular weight of 286.77 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]aniline is sourced from PubChem (CID 62404398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).