[(3R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]methyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylate

C35H32Cl2N8O3 — CID 129216955

IUPAC[(3R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]methyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylate
SMILESO=C(OC[C@H]1COCCN1c1nn(-c2ccc(Cl)cc2)c2cnccc12)C1CCCCN1c1nn(-c2ccc(Cl)cc2)c2cnccc12
InChIInChI=1S/C35H32Cl2N8O3/c36-23-4-8-25(9-5-23)44-31-19-38-14-12-28(31)33(40-44)42-17-18-47-21-27(42)22-48-35(46)30-3-1-2-16-43(30)34-29-13-15-39-20-32(29)45(41-34)26-10-6-24(37)7-11-26/h4-15,19-20,27,30H,1-3,16-18,21-22H2/t27-,30?/m1/s1
InChIKeyZXDTTYIYYLJIIL-NHQUYOMTSA-N
MW683.60 g/mol
LogP6.27
Rot. Bonds7

About [(3R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]methyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylate

[(3R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]methyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylate (PubChem CID 129216955) has the molecular formula C35H32Cl2N8O3 and a molecular weight of 683.60 g/mol. Its IUPAC name is [(3R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]methyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylate.

Molecular Properties

Compound Name[(3R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]methyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylate
PubChem CID129216955
Molecular FormulaC35H32Cl2N8O3
Molecular Weight683.60 g/mol
Exact Mass682.20
IUPAC Name[(3R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]methyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylate
SMILESO=C(OC[C@H]1COCCN1c1nn(-c2ccc(Cl)cc2)c2cnccc12)C1CCCCN1c1nn(-c2ccc(Cl)cc2)c2cnccc12
InChIInChI=1S/C35H32Cl2N8O3/c36-23-4-8-25(9-5-23)44-31-19-38-14-12-28(31)33(40-44)42-17-18-47-21-27(42)22-48-35(46)30-3-1-2-16-43(30)34-29-13-15-39-20-32(29)45(41-34)26-10-6-24(37)7-11-26/h4-15,19-20,27,30H,1-3,16-18,21-22H2/t27-,30?/m1/s1
InChIKeyZXDTTYIYYLJIIL-NHQUYOMTSA-N
XLogP6.27
TPSA103.43 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500683.60
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze [(3R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]methyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylate 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]methyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylate?
The IUPAC name of [(3R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]methyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylate (CID 129216955) is [(3R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]methyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylate.
What is the SMILES notation for [(3R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]methyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylate?
The canonical SMILES for [(3R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]methyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylate is O=C(OC[C@H]1COCCN1c1nn(-c2ccc(Cl)cc2)c2cnccc12)C1CCCCN1c1nn(-c2ccc(Cl)cc2)c2cnccc12.
What is the InChIKey of [(3R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]methyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylate?
The InChIKey is ZXDTTYIYYLJIIL-NHQUYOMTSA-N. The full InChI is InChI=1S/C35H32Cl2N8O3/c36-23-4-8-25(9-5-23)44-31-19-38-14-12-28(31)33(40-44)42-17-18-47-21-27(42)22-48-35(46)30-3-1-2-16-43(30)34-29-13-15-39-20-32(29)45(41-34)26-10-6-24(37)7-11-26/h4-15,19-20,27,30H,1-3,16-18,21-22H2/t27-,30?/m1/s1.
What are the key properties of [(3R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]methyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylate?
[(3R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]methyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylate has a molecular weight of 683.60 g/mol, XLogP of 6.27, 7 rotatable bonds, 0 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]methyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylate is sourced from PubChem (CID 129216955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).