3-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine

C19H21ClN4 — CID 92566401

IUPAC3-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine
SMILESCn1nc([C@@H]2CCCN(Cc3ccccc3Cl)C2)c2cccnc21
InChIInChI=1S/C19H21ClN4/c1-23-19-16(8-4-10-21-19)18(22-23)15-7-5-11-24(13-15)12-14-6-2-3-9-17(14)20/h2-4,6,8-10,15H,5,7,11-13H2,1H3/t15-/m1/s1
InChIKeyJLZUWBNJRWTKLQ-OAHLLOKOSA-N
MW340.86 g/mol
LogP4.00
Rot. Bonds3

About 3-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine

3-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine (PubChem CID 92566401) has the molecular formula C19H21ClN4 and a molecular weight of 340.86 g/mol. Its IUPAC name is 3-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine
PubChem CID92566401
Molecular FormulaC19H21ClN4
Molecular Weight340.86 g/mol
Exact Mass340.15
IUPAC Name3-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine
SMILESCn1nc([C@@H]2CCCN(Cc3ccccc3Cl)C2)c2cccnc21
InChIInChI=1S/C19H21ClN4/c1-23-19-16(8-4-10-21-19)18(22-23)15-7-5-11-24(13-15)12-14-6-2-3-9-17(14)20/h2-4,6,8-10,15H,5,7,11-13H2,1H3/t15-/m1/s1
InChIKeyJLZUWBNJRWTKLQ-OAHLLOKOSA-N
XLogP4.00
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3R)-1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine
CID 92566391
N-[2-[3-[(3R)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 92550531
N-[2-[3-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide
CID 124997676
2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline
CID 29095099
4-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine
CID 45221993
(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine
CID 42550070
N-[2-[3-[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 110082645
3-[[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-N-methylpyridin-2-amine
CID 125025982
3-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine
CID 95855386
2-(2-fluorophenoxy)-1-[3-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone
CID 110237560
(3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol
CID 24904413
5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 60565067

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine (CID 92566401) is 3-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine is Cn1nc([C@@H]2CCCN(Cc3ccccc3Cl)C2)c2cccnc21.
What is the InChIKey of 3-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine?
The InChIKey is JLZUWBNJRWTKLQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21ClN4/c1-23-19-16(8-4-10-21-19)18(22-23)15-7-5-11-24(13-15)12-14-6-2-3-9-17(14)20/h2-4,6,8-10,15H,5,7,11-13H2,1H3/t15-/m1/s1.
What are the key properties of 3-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine?
3-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine has a molecular weight of 340.86 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 92566401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).