piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone

C17H23N5O — CID 134797898

IUPACpiperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone
SMILESO=C(C1CCCN(c2ccnc3ccnn23)C1)N1CCCCC1
InChIInChI=1S/C17H23N5O/c23-17(20-10-2-1-3-11-20)14-5-4-12-21(13-14)16-7-8-18-15-6-9-19-22(15)16/h6-9,14H,1-5,10-13H2
InChIKeyVNMFBTMESXSRCP-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.96
Rot. Bonds2

About piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone

piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone (PubChem CID 134797898) 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-3-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone
PubChem CID134797898
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Namepiperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone
SMILESO=C(C1CCCN(c2ccnc3ccnn23)C1)N1CCCCC1
InChIInChI=1S/C17H23N5O/c23-17(20-10-2-1-3-11-20)14-5-4-12-21(13-14)16-7-8-18-15-6-9-19-22(15)16/h6-9,14H,1-5,10-13H2
InChIKeyVNMFBTMESXSRCP-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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Related Compounds

(4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone
CID 134798658
[(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95723617
N-(3-phenylpropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
CID 134796592
N-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide
CID 134795993
N-(1-pyrazolo[1,5-a]pyrimidin-7-ylazetidin-3-yl)cyclopentanecarboxamide
CID 134798024
piperidin-1-yl-(1-thieno[3,2-b]pyridin-7-ylpiperidin-3-yl)methanone
CID 166601294
piperidin-1-yl-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methanone
CID 166602700
[1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134035000
cyclobutyl-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]methanone
CID 56885348
morpholin-4-yl-[(3R)-1-(3-nitro-2-pyridinyl)piperidin-3-yl]methanone
CID 51532486
[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 166600860
(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 95863277

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone?
The IUPAC name of piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone (CID 134797898) is piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone.
What is the SMILES notation for piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone?
The canonical SMILES for piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone is O=C(C1CCCN(c2ccnc3ccnn23)C1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone?
The InChIKey is VNMFBTMESXSRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c23-17(20-10-2-1-3-11-20)14-5-4-12-21(13-14)16-7-8-18-15-6-9-19-22(15)16/h6-9,14H,1-5,10-13H2.
What are the key properties of piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone?
piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-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-3-yl)methanone is sourced from PubChem (CID 134797898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).