(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanone

C18H23N5O2 — CID 50967796

IUPAC(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanone
SMILESCN1CCn2nc(C(=O)N3CCC(O)(c4ccccn4)CC3)cc2C1
InChIInChI=1S/C18H23N5O2/c1-21-10-11-23-14(13-21)12-15(20-23)17(24)22-8-5-18(25,6-9-22)16-4-2-3-7-19-16/h2-4,7,12,25H,5-6,8-11,13H2,1H3
InChIKeySDYCPXMKFGFBGB-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.85
Rot. Bonds2

About (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanone

(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanone (PubChem CID 50967796) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanone
PubChem CID50967796
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanone
SMILESCN1CCn2nc(C(=O)N3CCC(O)(c4ccccn4)CC3)cc2C1
InChIInChI=1S/C18H23N5O2/c1-21-10-11-23-14(13-21)12-15(20-23)17(24)22-8-5-18(25,6-9-22)16-4-2-3-7-19-16/h2-4,7,12,25H,5-6,8-11,13H2,1H3
InChIKeySDYCPXMKFGFBGB-UHFFFAOYSA-N
XLogP0.85
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanone?
The IUPAC name of (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanone (CID 50967796) is (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanone.
What is the SMILES notation for (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanone?
The canonical SMILES for (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanone is CN1CCn2nc(C(=O)N3CCC(O)(c4ccccn4)CC3)cc2C1.
What is the InChIKey of (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanone?
The InChIKey is SDYCPXMKFGFBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-21-10-11-23-14(13-21)12-15(20-23)17(24)22-8-5-18(25,6-9-22)16-4-2-3-7-19-16/h2-4,7,12,25H,5-6,8-11,13H2,1H3.
What are the key properties of (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanone?
(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanone has a molecular weight of 341.42 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanone is sourced from PubChem (CID 50967796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).