[(2R,5R)-2-methyl-5-pyrazolo[1,5-a]pyridin-4-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

C22H22N6O2 — CID 121439360

IUPAC[(2R,5R)-2-methyl-5-pyrazolo[1,5-a]pyridin-4-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESC[C@@H]1CC[C@@H](Oc2cccn3nccc23)CN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C22H22N6O2/c1-16-8-9-17(30-21-7-4-14-27-20(21)10-11-23-27)15-26(16)22(29)18-5-2-3-6-19(18)28-24-12-13-25-28/h2-7,10-14,16-17H,8-9,15H2,1H3/t16-,17-/m1/s1
InChIKeyAPHHVSDDYQSFNG-IAGOWNOFSA-N
MW402.46 g/mol
LogP2.99
Rot. Bonds4

About [(2R,5R)-2-methyl-5-pyrazolo[1,5-a]pyridin-4-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

[(2R,5R)-2-methyl-5-pyrazolo[1,5-a]pyridin-4-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 121439360) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is [(2R,5R)-2-methyl-5-pyrazolo[1,5-a]pyridin-4-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2R,5R)-2-methyl-5-pyrazolo[1,5-a]pyridin-4-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID121439360
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name[(2R,5R)-2-methyl-5-pyrazolo[1,5-a]pyridin-4-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESC[C@@H]1CC[C@@H](Oc2cccn3nccc23)CN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C22H22N6O2/c1-16-8-9-17(30-21-7-4-14-27-20(21)10-11-23-27)15-26(16)22(29)18-5-2-3-6-19(18)28-24-12-13-25-28/h2-7,10-14,16-17H,8-9,15H2,1H3/t16-,17-/m1/s1
InChIKeyAPHHVSDDYQSFNG-IAGOWNOFSA-N
XLogP2.99
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-2-methyl-5-pyrazolo[1,5-a]pyridin-4-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(2R,5R)-2-methyl-5-pyrazolo[1,5-a]pyridin-4-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 121439360) is [(2R,5R)-2-methyl-5-pyrazolo[1,5-a]pyridin-4-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(2R,5R)-2-methyl-5-pyrazolo[1,5-a]pyridin-4-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(2R,5R)-2-methyl-5-pyrazolo[1,5-a]pyridin-4-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is C[C@@H]1CC[C@@H](Oc2cccn3nccc23)CN1C(=O)c1ccccc1-n1nccn1.
What is the InChIKey of [(2R,5R)-2-methyl-5-pyrazolo[1,5-a]pyridin-4-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is APHHVSDDYQSFNG-IAGOWNOFSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-16-8-9-17(30-21-7-4-14-27-20(21)10-11-23-27)15-26(16)22(29)18-5-2-3-6-19(18)28-24-12-13-25-28/h2-7,10-14,16-17H,8-9,15H2,1H3/t16-,17-/m1/s1.
What are the key properties of [(2R,5R)-2-methyl-5-pyrazolo[1,5-a]pyridin-4-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
[(2R,5R)-2-methyl-5-pyrazolo[1,5-a]pyridin-4-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 402.46 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-2-methyl-5-pyrazolo[1,5-a]pyridin-4-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 121439360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).