3-[(3R)-1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine

C19H20ClFN4 — CID 92566391

IUPAC3-[(3R)-1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine
SMILESCn1nc([C@@H]2CCCN(Cc3ccc(Cl)c(F)c3)C2)c2cccnc21
InChIInChI=1S/C19H20ClFN4/c1-24-19-15(5-2-8-22-19)18(23-24)14-4-3-9-25(12-14)11-13-6-7-16(20)17(21)10-13/h2,5-8,10,14H,3-4,9,11-12H2,1H3/t14-/m1/s1
InChIKeyXIFHYEVXMLBKIU-CQSZACIVSA-N
MW358.85 g/mol
LogP4.14
Rot. Bonds3

About 3-[(3R)-1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine

3-[(3R)-1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine (PubChem CID 92566391) has the molecular formula C19H20ClFN4 and a molecular weight of 358.85 g/mol. Its IUPAC name is 3-[(3R)-1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[(3R)-1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine
PubChem CID92566391
Molecular FormulaC19H20ClFN4
Molecular Weight358.85 g/mol
Exact Mass358.14
IUPAC Name3-[(3R)-1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine
SMILESCn1nc([C@@H]2CCCN(Cc3ccc(Cl)c(F)c3)C2)c2cccnc21
InChIInChI=1S/C19H20ClFN4/c1-24-19-15(5-2-8-22-19)18(23-24)14-4-3-9-25(12-14)11-13-6-7-16(20)17(21)10-13/h2,5-8,10,14H,3-4,9,11-12H2,1H3/t14-/m1/s1
InChIKeyXIFHYEVXMLBKIU-CQSZACIVSA-N
XLogP4.14
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(3R)-1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine
CID 92566401
2-[3-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethanamine
CID 110242216
N-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine
CID 172891849
2-(2-fluorophenoxy)-1-[3-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone
CID 110237560
N-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 107881931
N-[2-[3-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 92550522
N-[2-[3-[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 110082645
2-[3-[(3R)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine
CID 92558658
6-[(3S)-1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine
CID 124974081
7-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-N,2-dimethylpyrazolo[1,5-a]pyrimidin-3-amine
CID 175378504
2-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95829511
N-[2-[3-[(3R)-1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 92550525

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[(3R)-1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine (CID 92566391) is 3-[(3R)-1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[(3R)-1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[(3R)-1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine is Cn1nc([C@@H]2CCCN(Cc3ccc(Cl)c(F)c3)C2)c2cccnc21.
What is the InChIKey of 3-[(3R)-1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine?
The InChIKey is XIFHYEVXMLBKIU-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20ClFN4/c1-24-19-15(5-2-8-22-19)18(23-24)14-4-3-9-25(12-14)11-13-6-7-16(20)17(21)10-13/h2,5-8,10,14H,3-4,9,11-12H2,1H3/t14-/m1/s1.
What are the key properties of 3-[(3R)-1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine?
3-[(3R)-1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine has a molecular weight of 358.85 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 92566391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).