(1S)-1-(3-chlorophenyl)ethanamine;1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid

C21H18ClFN4O2 — CID 172811559

IUPAC(1S)-1-(3-chlorophenyl)ethanamine;1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid
SMILESC[C@H](N)c1cccc(Cl)c1.O=C(O)c1cncc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C13H8FN3O2.C8H10ClN/c14-8-1-3-9(4-2-8)17-12-7-15-5-11(13(18)19)10(12)6-16-17;1-6(10)7-3-2-4-8(9)5-7/h1-7H,(H,18,19);2-6H,10H2,1H3/t;6-/m.0/s1
InChIKeySGACMPLHRXAKPW-ZCMDIHMWSA-N
MW412.85 g/mol
LogP4.62
Rot. Bonds3

About (1S)-1-(3-chlorophenyl)ethanamine;1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid

(1S)-1-(3-chlorophenyl)ethanamine;1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid (PubChem CID 172811559) has the molecular formula C21H18ClFN4O2 and a molecular weight of 412.85 g/mol. Its IUPAC name is (1S)-1-(3-chlorophenyl)ethanamine;1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name(1S)-1-(3-chlorophenyl)ethanamine;1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid
PubChem CID172811559
Molecular FormulaC21H18ClFN4O2
Molecular Weight412.85 g/mol
Exact Mass412.11
IUPAC Name(1S)-1-(3-chlorophenyl)ethanamine;1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid
SMILESC[C@H](N)c1cccc(Cl)c1.O=C(O)c1cncc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C13H8FN3O2.C8H10ClN/c14-8-1-3-9(4-2-8)17-12-7-15-5-11(13(18)19)10(12)6-16-17;1-6(10)7-3-2-4-8(9)5-7/h1-7H,(H,18,19);2-6H,10H2,1H3/t;6-/m.0/s1
InChIKeySGACMPLHRXAKPW-ZCMDIHMWSA-N
XLogP4.62
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.85
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S)-1-(3-chlorophenyl)ethanamine;1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-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 (1S)-1-(3-chlorophenyl)ethanamine;1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid?
The IUPAC name of (1S)-1-(3-chlorophenyl)ethanamine;1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid (CID 172811559) is (1S)-1-(3-chlorophenyl)ethanamine;1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid.
What is the SMILES notation for (1S)-1-(3-chlorophenyl)ethanamine;1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid?
The canonical SMILES for (1S)-1-(3-chlorophenyl)ethanamine;1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid is C[C@H](N)c1cccc(Cl)c1.O=C(O)c1cncc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of (1S)-1-(3-chlorophenyl)ethanamine;1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid?
The InChIKey is SGACMPLHRXAKPW-ZCMDIHMWSA-N. The full InChI is InChI=1S/C13H8FN3O2.C8H10ClN/c14-8-1-3-9(4-2-8)17-12-7-15-5-11(13(18)19)10(12)6-16-17;1-6(10)7-3-2-4-8(9)5-7/h1-7H,(H,18,19);2-6H,10H2,1H3/t;6-/m.0/s1.
What are the key properties of (1S)-1-(3-chlorophenyl)ethanamine;1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid?
(1S)-1-(3-chlorophenyl)ethanamine;1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid has a molecular weight of 412.85 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-chlorophenyl)ethanamine;1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 172811559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).