piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone

C17H23N5O — CID 134796532

IUPACpiperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(c2ccnc3ccnn23)CC1)N1CCCCC1
InChIInChI=1S/C17H23N5O/c23-17(21-10-2-1-3-11-21)14-6-12-20(13-7-14)16-5-8-18-15-4-9-19-22(15)16/h4-5,8-9,14H,1-3,6-7,10-13H2
InChIKeyBIDKWNDMJQWBJL-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.96
Rot. Bonds2

About piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone

piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone (PubChem CID 134796532) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone
PubChem CID134796532
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Namepiperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(c2ccnc3ccnn23)CC1)N1CCCCC1
InChIInChI=1S/C17H23N5O/c23-17(21-10-2-1-3-11-21)14-6-12-20(13-7-14)16-5-8-18-15-4-9-19-22(15)16/h4-5,8-9,14H,1-3,6-7,10-13H2
InChIKeyBIDKWNDMJQWBJL-UHFFFAOYSA-N
XLogP1.96
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone?
The IUPAC name of piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone (CID 134796532) is piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone.
What is the SMILES notation for piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone?
The canonical SMILES for piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone is O=C(C1CCN(c2ccnc3ccnn23)CC1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone?
The InChIKey is BIDKWNDMJQWBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c23-17(21-10-2-1-3-11-21)14-6-12-20(13-7-14)16-5-8-18-15-4-9-19-22(15)16/h4-5,8-9,14H,1-3,6-7,10-13H2.
What are the key properties of piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone?
piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone has a molecular weight of 313.40 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 134796532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).