4-chloro-6-[(3R)-3-methoxypiperidin-1-yl]-1-methylpyrazolo[5,4-b]pyridine

C13H17ClN4O — CID 166284211

IUPAC4-chloro-6-[(3R)-3-methoxypiperidin-1-yl]-1-methylpyrazolo[5,4-b]pyridine
SMILESCO[C@@H]1CCCN(c2cc(Cl)c3cnn(C)c3n2)C1
InChIInChI=1S/C13H17ClN4O/c1-17-13-10(7-15-17)11(14)6-12(16-13)18-5-3-4-9(8-18)19-2/h6-7,9H,3-5,8H2,1-2H3/t9-/m1/s1
InChIKeyDPOIOASMILAHIF-SECBINFHSA-N
MW280.76 g/mol
LogP2.24
Rot. Bonds2

About 4-chloro-6-[(3R)-3-methoxypiperidin-1-yl]-1-methylpyrazolo[5,4-b]pyridine

4-chloro-6-[(3R)-3-methoxypiperidin-1-yl]-1-methylpyrazolo[5,4-b]pyridine (PubChem CID 166284211) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 4-chloro-6-[(3R)-3-methoxypiperidin-1-yl]-1-methylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name4-chloro-6-[(3R)-3-methoxypiperidin-1-yl]-1-methylpyrazolo[5,4-b]pyridine
PubChem CID166284211
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name4-chloro-6-[(3R)-3-methoxypiperidin-1-yl]-1-methylpyrazolo[5,4-b]pyridine
SMILESCO[C@@H]1CCCN(c2cc(Cl)c3cnn(C)c3n2)C1
InChIInChI=1S/C13H17ClN4O/c1-17-13-10(7-15-17)11(14)6-12(16-13)18-5-3-4-9(8-18)19-2/h6-7,9H,3-5,8H2,1-2H3/t9-/m1/s1
InChIKeyDPOIOASMILAHIF-SECBINFHSA-N
XLogP2.24
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(3R)-3-methoxypiperidin-1-yl]-1-methylpyrazolo[5,4-b]pyridine?
The IUPAC name of 4-chloro-6-[(3R)-3-methoxypiperidin-1-yl]-1-methylpyrazolo[5,4-b]pyridine (CID 166284211) is 4-chloro-6-[(3R)-3-methoxypiperidin-1-yl]-1-methylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 4-chloro-6-[(3R)-3-methoxypiperidin-1-yl]-1-methylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 4-chloro-6-[(3R)-3-methoxypiperidin-1-yl]-1-methylpyrazolo[5,4-b]pyridine is CO[C@@H]1CCCN(c2cc(Cl)c3cnn(C)c3n2)C1.
What is the InChIKey of 4-chloro-6-[(3R)-3-methoxypiperidin-1-yl]-1-methylpyrazolo[5,4-b]pyridine?
The InChIKey is DPOIOASMILAHIF-SECBINFHSA-N. The full InChI is InChI=1S/C13H17ClN4O/c1-17-13-10(7-15-17)11(14)6-12(16-13)18-5-3-4-9(8-18)19-2/h6-7,9H,3-5,8H2,1-2H3/t9-/m1/s1.
What are the key properties of 4-chloro-6-[(3R)-3-methoxypiperidin-1-yl]-1-methylpyrazolo[5,4-b]pyridine?
4-chloro-6-[(3R)-3-methoxypiperidin-1-yl]-1-methylpyrazolo[5,4-b]pyridine has a molecular weight of 280.76 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(3R)-3-methoxypiperidin-1-yl]-1-methylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 166284211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).