4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)pyridin-2-amine

C21H24FN5 — CID 22037335

IUPAC4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)pyridin-2-amine
SMILESFc1ccc(-c2[nH]ncc2-c2ccnc(NCCN3CCCCC3)c2)cc1
InChIInChI=1S/C21H24FN5/c22-18-6-4-16(5-7-18)21-19(15-25-26-21)17-8-9-23-20(14-17)24-10-13-27-11-2-1-3-12-27/h4-9,14-15H,1-3,10-13H2,(H,23,24)(H,25,26)
InChIKeyBKCUAUYROGGIMR-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.18
Rot. Bonds6

About 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)pyridin-2-amine

4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)pyridin-2-amine (PubChem CID 22037335) has the molecular formula C21H24FN5 and a molecular weight of 365.46 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)pyridin-2-amine
PubChem CID22037335
Molecular FormulaC21H24FN5
Molecular Weight365.46 g/mol
Exact Mass365.20
IUPAC Name4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)pyridin-2-amine
SMILESFc1ccc(-c2[nH]ncc2-c2ccnc(NCCN3CCCCC3)c2)cc1
InChIInChI=1S/C21H24FN5/c22-18-6-4-16(5-7-18)21-19(15-25-26-21)17-8-9-23-20(14-17)24-10-13-27-11-2-1-3-12-27/h4-9,14-15H,1-3,10-13H2,(H,23,24)(H,25,26)
InChIKeyBKCUAUYROGGIMR-UHFFFAOYSA-N
XLogP4.18
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)pyridin-2-amine?
The IUPAC name of 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)pyridin-2-amine (CID 22037335) is 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)pyridin-2-amine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)pyridin-2-amine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)pyridin-2-amine is Fc1ccc(-c2[nH]ncc2-c2ccnc(NCCN3CCCCC3)c2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)pyridin-2-amine?
The InChIKey is BKCUAUYROGGIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5/c22-18-6-4-16(5-7-18)21-19(15-25-26-21)17-8-9-23-20(14-17)24-10-13-27-11-2-1-3-12-27/h4-9,14-15H,1-3,10-13H2,(H,23,24)(H,25,26).
What are the key properties of 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)pyridin-2-amine?
4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)pyridin-2-amine has a molecular weight of 365.46 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)pyridin-2-amine is sourced from PubChem (CID 22037335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).