[4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C20H20FN5O2 — CID 95823156

IUPAC[4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCC(c3cncc(Oc4cccc(F)c4)n3)CC2)cn1
InChIInChI=1S/C20H20FN5O2/c1-25-13-15(10-23-25)20(27)26-7-5-14(6-8-26)18-11-22-12-19(24-18)28-17-4-2-3-16(21)9-17/h2-4,9-14H,5-8H2,1H3
InChIKeyOHBVHNVKGOSYKK-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.16
Rot. Bonds4

About [4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 95823156) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is [4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID95823156
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name[4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCC(c3cncc(Oc4cccc(F)c4)n3)CC2)cn1
InChIInChI=1S/C20H20FN5O2/c1-25-13-15(10-23-25)20(27)26-7-5-14(6-8-26)18-11-22-12-19(24-18)28-17-4-2-3-16(21)9-17/h2-4,9-14H,5-8H2,1H3
InChIKeyOHBVHNVKGOSYKK-UHFFFAOYSA-N
XLogP3.16
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-allyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-[4-(3-pyridinyloxy)phenyl]-4-piperidinecarboxamide
CID 24791778
N-(2-methoxyethyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 46883831
[5-(2-Fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 71559936
[5-(2,3-Difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 71561367
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(6-methylpyrazin-2-yl)oxyphenyl]methyl]pyrazole-4-carboxamide
CID 56836625
1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-[4-(3-pyridinyloxy)phenyl]-4-piperidinecarboxamide
CID 24791328
1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
CID 24791379
1-(2-fluorobenzyl)-N-[3-(3-pyridinyloxy)propyl]-1H-1,2,3-triazole-4-carboxamide
CID 42291201
2-(1-Methylpyrazol-4-yl)-3-(2-phenoxyethoxy)pyrazine
CID 172438355
[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyrazin-2-ylmethanone
CID 57387133
[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methyl-3-pyridinyl)methanone
CID 67968119
[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(5-fluoro-3-pyridinyl)methanone
CID 67968121

Frequently Asked Questions

What is the IUPAC name of [4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 95823156) is [4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cn1cc(C(=O)N2CCC(c3cncc(Oc4cccc(F)c4)n3)CC2)cn1.
What is the InChIKey of [4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is OHBVHNVKGOSYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-25-13-15(10-23-25)20(27)26-7-5-14(6-8-26)18-11-22-12-19(24-18)28-17-4-2-3-16(21)9-17/h2-4,9-14H,5-8H2,1H3.
What are the key properties of [4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 381.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 95823156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).