6-(2-fluorophenyl)-1-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)-2H-pyridin-3-amine

C19H23FN6 — CID 141313382

IUPAC6-(2-fluorophenyl)-1-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)-2H-pyridin-3-amine
SMILESCn1ncc(N2CC(N)=CC=C2c2ccccc2F)c1N1CCNCC1
InChIInChI=1S/C19H23FN6/c1-24-19(25-10-8-22-9-11-25)18(12-23-24)26-13-14(21)6-7-17(26)15-4-2-3-5-16(15)20/h2-7,12,22H,8-11,13,21H2,1H3
InChIKeyAOTQWENRFNWSGB-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.67
Rot. Bonds3

About 6-(2-fluorophenyl)-1-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)-2H-pyridin-3-amine

6-(2-fluorophenyl)-1-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)-2H-pyridin-3-amine (PubChem CID 141313382) has the molecular formula C19H23FN6 and a molecular weight of 354.43 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-1-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)-2H-pyridin-3-amine.

Molecular Properties

Compound Name6-(2-fluorophenyl)-1-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)-2H-pyridin-3-amine
PubChem CID141313382
Molecular FormulaC19H23FN6
Molecular Weight354.43 g/mol
Exact Mass354.20
IUPAC Name6-(2-fluorophenyl)-1-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)-2H-pyridin-3-amine
SMILESCn1ncc(N2CC(N)=CC=C2c2ccccc2F)c1N1CCNCC1
InChIInChI=1S/C19H23FN6/c1-24-19(25-10-8-22-9-11-25)18(12-23-24)26-13-14(21)6-7-17(26)15-4-2-3-5-16(15)20/h2-7,12,22H,8-11,13,21H2,1H3
InChIKeyAOTQWENRFNWSGB-UHFFFAOYSA-N
XLogP1.67
TPSA62.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-1-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)-2H-pyridin-3-amine?
The IUPAC name of 6-(2-fluorophenyl)-1-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)-2H-pyridin-3-amine (CID 141313382) is 6-(2-fluorophenyl)-1-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)-2H-pyridin-3-amine.
What is the SMILES notation for 6-(2-fluorophenyl)-1-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)-2H-pyridin-3-amine?
The canonical SMILES for 6-(2-fluorophenyl)-1-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)-2H-pyridin-3-amine is Cn1ncc(N2CC(N)=CC=C2c2ccccc2F)c1N1CCNCC1.
What is the InChIKey of 6-(2-fluorophenyl)-1-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)-2H-pyridin-3-amine?
The InChIKey is AOTQWENRFNWSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6/c1-24-19(25-10-8-22-9-11-25)18(12-23-24)26-13-14(21)6-7-17(26)15-4-2-3-5-16(15)20/h2-7,12,22H,8-11,13,21H2,1H3.
What are the key properties of 6-(2-fluorophenyl)-1-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)-2H-pyridin-3-amine?
6-(2-fluorophenyl)-1-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)-2H-pyridin-3-amine has a molecular weight of 354.43 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-1-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)-2H-pyridin-3-amine is sourced from PubChem (CID 141313382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).