5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine

C17H19FN6O — CID 163354835

IUPAC5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine
SMILESCCc1ncnc(N2CCC(Oc3ccn4nccc4n3)CC2)c1F
InChIInChI=1S/C17H19FN6O/c1-2-13-16(18)17(20-11-19-13)23-8-4-12(5-9-23)25-15-6-10-24-14(22-15)3-7-21-24/h3,6-7,10-12H,2,4-5,8-9H2,1H3
InChIKeyGKYRQUNWUQMPLC-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.27
Rot. Bonds4

About 5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine

5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine (PubChem CID 163354835) has the molecular formula C17H19FN6O and a molecular weight of 342.38 g/mol. Its IUPAC name is 5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine
PubChem CID163354835
Molecular FormulaC17H19FN6O
Molecular Weight342.38 g/mol
Exact Mass342.16
IUPAC Name5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine
SMILESCCc1ncnc(N2CCC(Oc3ccn4nccc4n3)CC2)c1F
InChIInChI=1S/C17H19FN6O/c1-2-13-16(18)17(20-11-19-13)23-8-4-12(5-9-23)25-15-6-10-24-14(22-15)3-7-21-24/h3,6-7,10-12H,2,4-5,8-9H2,1H3
InChIKeyGKYRQUNWUQMPLC-UHFFFAOYSA-N
XLogP2.27
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-Isopropyl-2-methyl-7-[4-(2-pyrimidinyloxy)-1-piperidinyl]pyrazolo[1,5-a]pyrimidine
CID 56906033
5-[3-[6-(Fluoromethyl)-2-pyridinyl]prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine
CID 46219658
5-[3-[6-(Fluoromethyl)-2-pyridinyl]prop-2-ynoxy]-2-methylpyrazolo[1,5-a]pyrimidine
CID 46219659
4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-{[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methoxy}pyrimidine
CID 137937081
4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-{[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy}pyrimidine
CID 137937082
4-[4-({[6-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-yl]oxy}methyl)piperidin-1-yl]-6-ethyl-5-fluoropyrimidine
CID 137937181
6-[4-(2-Ethoxy-5-fluoro-4-pyridinyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 138033460
4-Ethyl-5-fluoro-6-{4-[({2-methylimidazo[1,2-b]pyridazin-6-yl}oxy)methyl]piperidin-1-yl}pyrimidine
CID 154582621
5-Fluoro-2,4-dimethyl-6-[(1-{5-methylpyrazolo[1,5-a]pyrimidin-7-yl}piperidin-4-yl)methoxy]pyrimidine
CID 155798933
4-Ethyl-5-fluoro-6-[(1-{5-methylpyrazolo[1,5-a]pyrimidin-7-yl}piperidin-4-yl)methoxy]pyrimidine
CID 155942111
4-[(1-{2,5-Dimethylpyrazolo[1,5-a]pyrimidin-7-yl}piperidin-4-yl)methoxy]-6-ethyl-5-fluoropyrimidine
CID 155942129
4-Ethyl-5-fluoro-6-[(1-{pyrazolo[1,5-a]pyrimidin-5-yl}piperidin-4-yl)methoxy]pyrimidine
CID 155980582

Frequently Asked Questions

What is the IUPAC name of 5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine (CID 163354835) is 5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine is CCc1ncnc(N2CCC(Oc3ccn4nccc4n3)CC2)c1F.
What is the InChIKey of 5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine?
The InChIKey is GKYRQUNWUQMPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O/c1-2-13-16(18)17(20-11-19-13)23-8-4-12(5-9-23)25-15-6-10-24-14(22-15)3-7-21-24/h3,6-7,10-12H,2,4-5,8-9H2,1H3.
What are the key properties of 5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine?
5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine has a molecular weight of 342.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 163354835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).