[(3R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]methanol;1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylic acid

C35H34Cl2N8O4 — CID 129216957

IUPAC[(3R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]methanol;1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1c1nn(-c2ccc(Cl)cc2)c2cnccc12.OC[C@@H]1COCCN1c1nn(-c2ccc(Cl)cc2)c2cnccc12
InChIInChI=1S/C18H17ClN4O2.C17H17ClN4O2/c19-12-4-6-13(7-5-12)23-16-11-20-9-8-14(16)17(21-23)22-10-2-1-3-15(22)18(24)25;18-12-1-3-13(4-2-12)22-16-9-19-6-5-15(16)17(20-22)21-7-8-24-11-14(21)10-23/h4-9,11,15H,1-3,10H2,(H,24,25);1-6,9,14,23H,7-8,10-11H2/t;14-/m.1/s1
InChIKeyJUKQGWWHJPQNFH-KSLSDJDQSA-N
MW701.62 g/mol
LogP5.79
Rot. Bonds6

About [(3R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]methanol;1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylic acid

[(3R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]methanol;1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylic acid (PubChem CID 129216957) has the molecular formula C35H34Cl2N8O4 and a molecular weight of 701.62 g/mol. Its IUPAC name is [(3R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]methanol;1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name[(3R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]methanol;1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylic acid
PubChem CID129216957
Molecular FormulaC35H34Cl2N8O4
Molecular Weight701.62 g/mol
Exact Mass700.21
IUPAC Name[(3R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]methanol;1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1c1nn(-c2ccc(Cl)cc2)c2cnccc12.OC[C@@H]1COCCN1c1nn(-c2ccc(Cl)cc2)c2cnccc12
InChIInChI=1S/C18H17ClN4O2.C17H17ClN4O2/c19-12-4-6-13(7-5-12)23-16-11-20-9-8-14(16)17(21-23)22-10-2-1-3-15(22)18(24)25;18-12-1-3-13(4-2-12)22-16-9-19-6-5-15(16)17(20-22)21-7-8-24-11-14(21)10-23/h4-9,11,15H,1-3,10H2,(H,24,25);1-6,9,14,23H,7-8,10-11H2/t;14-/m.1/s1
InChIKeyJUKQGWWHJPQNFH-KSLSDJDQSA-N
XLogP5.79
TPSA134.66 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500701.62
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze [(3R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]methanol;1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-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 [(3R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]methanol;1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylic acid?
The IUPAC name of [(3R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]methanol;1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylic acid (CID 129216957) is [(3R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]methanol;1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylic acid.
What is the SMILES notation for [(3R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]methanol;1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylic acid?
The canonical SMILES for [(3R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]methanol;1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1c1nn(-c2ccc(Cl)cc2)c2cnccc12.OC[C@@H]1COCCN1c1nn(-c2ccc(Cl)cc2)c2cnccc12.
What is the InChIKey of [(3R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]methanol;1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylic acid?
The InChIKey is JUKQGWWHJPQNFH-KSLSDJDQSA-N. The full InChI is InChI=1S/C18H17ClN4O2.C17H17ClN4O2/c19-12-4-6-13(7-5-12)23-16-11-20-9-8-14(16)17(21-23)22-10-2-1-3-15(22)18(24)25;18-12-1-3-13(4-2-12)22-16-9-19-6-5-15(16)17(20-22)21-7-8-24-11-14(21)10-23/h4-9,11,15H,1-3,10H2,(H,24,25);1-6,9,14,23H,7-8,10-11H2/t;14-/m.1/s1.
What are the key properties of [(3R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]methanol;1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylic acid?
[(3R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]methanol;1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylic acid has a molecular weight of 701.62 g/mol, XLogP of 5.79, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]methanol;1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylic acid is sourced from PubChem (CID 129216957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).