1-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)-2H-pyridin-3-amine

C20H25FN6 — CID 141313395

IUPAC1-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)-2H-pyridin-3-amine
SMILESCn1ncc(N2CC(N)=CC=C2c2ccccc2F)c1N1CCC(N)CC1
InChIInChI=1S/C20H25FN6/c1-25-20(26-10-8-14(22)9-11-26)19(12-24-25)27-13-15(23)6-7-18(27)16-4-2-3-5-17(16)21/h2-7,12,14H,8-11,13,22-23H2,1H3
InChIKeyXIPIAGUAFBDUML-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.19
Rot. Bonds3

About 1-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)-2H-pyridin-3-amine

1-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)-2H-pyridin-3-amine (PubChem CID 141313395) has the molecular formula C20H25FN6 and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)-2H-pyridin-3-amine.

Molecular Properties

Compound Name1-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)-2H-pyridin-3-amine
PubChem CID141313395
Molecular FormulaC20H25FN6
Molecular Weight368.46 g/mol
Exact Mass368.21
IUPAC Name1-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)-2H-pyridin-3-amine
SMILESCn1ncc(N2CC(N)=CC=C2c2ccccc2F)c1N1CCC(N)CC1
InChIInChI=1S/C20H25FN6/c1-25-20(26-10-8-14(22)9-11-26)19(12-24-25)27-13-15(23)6-7-18(27)16-4-2-3-5-17(16)21/h2-7,12,14H,8-11,13,22-23H2,1H3
InChIKeyXIPIAGUAFBDUML-UHFFFAOYSA-N
XLogP2.19
TPSA76.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)-2H-pyridin-3-amine?
The IUPAC name of 1-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)-2H-pyridin-3-amine (CID 141313395) is 1-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)-2H-pyridin-3-amine.
What is the SMILES notation for 1-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)-2H-pyridin-3-amine?
The canonical SMILES for 1-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)-2H-pyridin-3-amine is Cn1ncc(N2CC(N)=CC=C2c2ccccc2F)c1N1CCC(N)CC1.
What is the InChIKey of 1-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)-2H-pyridin-3-amine?
The InChIKey is XIPIAGUAFBDUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN6/c1-25-20(26-10-8-14(22)9-11-26)19(12-24-25)27-13-15(23)6-7-18(27)16-4-2-3-5-17(16)21/h2-7,12,14H,8-11,13,22-23H2,1H3.
What are the key properties of 1-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)-2H-pyridin-3-amine?
1-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)-2H-pyridin-3-amine has a molecular weight of 368.46 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)-2H-pyridin-3-amine is sourced from PubChem (CID 141313395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).