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

C13H17ClN4O2 — CID 166291956

IUPAC(3R,5R)-1-(4-chloro-1-methylpyrazolo[5,4-b]pyridin-6-yl)-5-methoxypiperidin-3-ol
SMILESCO[C@@H]1C[C@@H](O)CN(c2cc(Cl)c3cnn(C)c3n2)C1
InChIInChI=1S/C13H17ClN4O2/c1-17-13-10(5-15-17)11(14)4-12(16-13)18-6-8(19)3-9(7-18)20-2/h4-5,8-9,19H,3,6-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyXUGAYYJRLULBFE-RKDXNWHRSA-N
MW296.76 g/mol
LogP1.21
Rot. Bonds2

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

(3R,5R)-1-(4-chloro-1-methylpyrazolo[5,4-b]pyridin-6-yl)-5-methoxypiperidin-3-ol (PubChem CID 166291956) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is (3R,5R)-1-(4-chloro-1-methylpyrazolo[5,4-b]pyridin-6-yl)-5-methoxypiperidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-1-(4-chloro-1-methylpyrazolo[5,4-b]pyridin-6-yl)-5-methoxypiperidin-3-ol
PubChem CID166291956
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name(3R,5R)-1-(4-chloro-1-methylpyrazolo[5,4-b]pyridin-6-yl)-5-methoxypiperidin-3-ol
SMILESCO[C@@H]1C[C@@H](O)CN(c2cc(Cl)c3cnn(C)c3n2)C1
InChIInChI=1S/C13H17ClN4O2/c1-17-13-10(5-15-17)11(14)4-12(16-13)18-6-8(19)3-9(7-18)20-2/h4-5,8-9,19H,3,6-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyXUGAYYJRLULBFE-RKDXNWHRSA-N
XLogP1.21
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-(4-chloro-1-methylpyrazolo[5,4-b]pyridin-6-yl)-5-methoxypiperidin-3-ol?
The IUPAC name of (3R,5R)-1-(4-chloro-1-methylpyrazolo[5,4-b]pyridin-6-yl)-5-methoxypiperidin-3-ol (CID 166291956) is (3R,5R)-1-(4-chloro-1-methylpyrazolo[5,4-b]pyridin-6-yl)-5-methoxypiperidin-3-ol.
What is the SMILES notation for (3R,5R)-1-(4-chloro-1-methylpyrazolo[5,4-b]pyridin-6-yl)-5-methoxypiperidin-3-ol?
The canonical SMILES for (3R,5R)-1-(4-chloro-1-methylpyrazolo[5,4-b]pyridin-6-yl)-5-methoxypiperidin-3-ol is CO[C@@H]1C[C@@H](O)CN(c2cc(Cl)c3cnn(C)c3n2)C1.
What is the InChIKey of (3R,5R)-1-(4-chloro-1-methylpyrazolo[5,4-b]pyridin-6-yl)-5-methoxypiperidin-3-ol?
The InChIKey is XUGAYYJRLULBFE-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c1-17-13-10(5-15-17)11(14)4-12(16-13)18-6-8(19)3-9(7-18)20-2/h4-5,8-9,19H,3,6-7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (3R,5R)-1-(4-chloro-1-methylpyrazolo[5,4-b]pyridin-6-yl)-5-methoxypiperidin-3-ol?
(3R,5R)-1-(4-chloro-1-methylpyrazolo[5,4-b]pyridin-6-yl)-5-methoxypiperidin-3-ol has a molecular weight of 296.76 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-(4-chloro-1-methylpyrazolo[5,4-b]pyridin-6-yl)-5-methoxypiperidin-3-ol is sourced from PubChem (CID 166291956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).