[1-[4-[6-(2-fluorophenyl)-2H-pyrazin-1-yl]-1-methylpyrazol-5-yl]piperidin-4-yl]methanamine

C20H25FN6 — CID 141313401

IUPAC[1-[4-[6-(2-fluorophenyl)-2H-pyrazin-1-yl]-1-methylpyrazol-5-yl]piperidin-4-yl]methanamine
SMILESCn1ncc(N2CC=NC=C2c2ccccc2F)c1N1CCC(CN)CC1
InChIInChI=1S/C20H25FN6/c1-25-20(26-9-6-15(12-22)7-10-26)19(14-24-25)27-11-8-23-13-18(27)16-4-2-3-5-17(16)21/h2-5,8,13-15H,6-7,9-12,22H2,1H3
InChIKeyZGZPNRWSNARPGH-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.62
Rot. Bonds4

About [1-[4-[6-(2-fluorophenyl)-2H-pyrazin-1-yl]-1-methylpyrazol-5-yl]piperidin-4-yl]methanamine

[1-[4-[6-(2-fluorophenyl)-2H-pyrazin-1-yl]-1-methylpyrazol-5-yl]piperidin-4-yl]methanamine (PubChem CID 141313401) has the molecular formula C20H25FN6 and a molecular weight of 368.46 g/mol. Its IUPAC name is [1-[4-[6-(2-fluorophenyl)-2H-pyrazin-1-yl]-1-methylpyrazol-5-yl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[4-[6-(2-fluorophenyl)-2H-pyrazin-1-yl]-1-methylpyrazol-5-yl]piperidin-4-yl]methanamine
PubChem CID141313401
Molecular FormulaC20H25FN6
Molecular Weight368.46 g/mol
Exact Mass368.21
IUPAC Name[1-[4-[6-(2-fluorophenyl)-2H-pyrazin-1-yl]-1-methylpyrazol-5-yl]piperidin-4-yl]methanamine
SMILESCn1ncc(N2CC=NC=C2c2ccccc2F)c1N1CCC(CN)CC1
InChIInChI=1S/C20H25FN6/c1-25-20(26-9-6-15(12-22)7-10-26)19(14-24-25)27-11-8-23-13-18(27)16-4-2-3-5-17(16)21/h2-5,8,13-15H,6-7,9-12,22H2,1H3
InChIKeyZGZPNRWSNARPGH-UHFFFAOYSA-N
XLogP2.62
TPSA62.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[6-(2-fluorophenyl)-2H-pyrazin-1-yl]-1-methylpyrazol-5-yl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[4-[6-(2-fluorophenyl)-2H-pyrazin-1-yl]-1-methylpyrazol-5-yl]piperidin-4-yl]methanamine (CID 141313401) is [1-[4-[6-(2-fluorophenyl)-2H-pyrazin-1-yl]-1-methylpyrazol-5-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[4-[6-(2-fluorophenyl)-2H-pyrazin-1-yl]-1-methylpyrazol-5-yl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[4-[6-(2-fluorophenyl)-2H-pyrazin-1-yl]-1-methylpyrazol-5-yl]piperidin-4-yl]methanamine is Cn1ncc(N2CC=NC=C2c2ccccc2F)c1N1CCC(CN)CC1.
What is the InChIKey of [1-[4-[6-(2-fluorophenyl)-2H-pyrazin-1-yl]-1-methylpyrazol-5-yl]piperidin-4-yl]methanamine?
The InChIKey is ZGZPNRWSNARPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN6/c1-25-20(26-9-6-15(12-22)7-10-26)19(14-24-25)27-11-8-23-13-18(27)16-4-2-3-5-17(16)21/h2-5,8,13-15H,6-7,9-12,22H2,1H3.
What are the key properties of [1-[4-[6-(2-fluorophenyl)-2H-pyrazin-1-yl]-1-methylpyrazol-5-yl]piperidin-4-yl]methanamine?
[1-[4-[6-(2-fluorophenyl)-2H-pyrazin-1-yl]-1-methylpyrazol-5-yl]piperidin-4-yl]methanamine has a molecular weight of 368.46 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[6-(2-fluorophenyl)-2H-pyrazin-1-yl]-1-methylpyrazol-5-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 141313401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).