6-[4-[2-[4-(2-amino-2-phenylethyl)piperazin-1-yl]ethyl]-2-fluorophenyl]pyridin-2-amine

C25H30FN5 — CID 18414435

IUPAC6-[4-[2-[4-(2-amino-2-phenylethyl)piperazin-1-yl]ethyl]-2-fluorophenyl]pyridin-2-amine
SMILESNc1cccc(-c2ccc(CCN3CCN(CC(N)c4ccccc4)CC3)cc2F)n1
InChIInChI=1S/C25H30FN5/c26-22-17-19(9-10-21(22)24-7-4-8-25(28)29-24)11-12-30-13-15-31(16-14-30)18-23(27)20-5-2-1-3-6-20/h1-10,17,23H,11-16,18,27H2,(H2,28,29)
InChIKeyIAOKISQCXLUZIQ-UHFFFAOYSA-N
MW419.55 g/mol
LogP3.33
Rot. Bonds7

About 6-[4-[2-[4-(2-amino-2-phenylethyl)piperazin-1-yl]ethyl]-2-fluorophenyl]pyridin-2-amine

6-[4-[2-[4-(2-amino-2-phenylethyl)piperazin-1-yl]ethyl]-2-fluorophenyl]pyridin-2-amine (PubChem CID 18414435) has the molecular formula C25H30FN5 and a molecular weight of 419.55 g/mol. Its IUPAC name is 6-[4-[2-[4-(2-amino-2-phenylethyl)piperazin-1-yl]ethyl]-2-fluorophenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[4-[2-[4-(2-amino-2-phenylethyl)piperazin-1-yl]ethyl]-2-fluorophenyl]pyridin-2-amine
PubChem CID18414435
Molecular FormulaC25H30FN5
Molecular Weight419.55 g/mol
Exact Mass419.25
IUPAC Name6-[4-[2-[4-(2-amino-2-phenylethyl)piperazin-1-yl]ethyl]-2-fluorophenyl]pyridin-2-amine
SMILESNc1cccc(-c2ccc(CCN3CCN(CC(N)c4ccccc4)CC3)cc2F)n1
InChIInChI=1S/C25H30FN5/c26-22-17-19(9-10-21(22)24-7-4-8-25(28)29-24)11-12-30-13-15-31(16-14-30)18-23(27)20-5-2-1-3-6-20/h1-10,17,23H,11-16,18,27H2,(H2,28,29)
InChIKeyIAOKISQCXLUZIQ-UHFFFAOYSA-N
XLogP3.33
TPSA71.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[4-(2-amino-2-phenylethyl)piperazin-1-yl]ethyl]-2-fluorophenyl]pyridin-2-amine?
The IUPAC name of 6-[4-[2-[4-(2-amino-2-phenylethyl)piperazin-1-yl]ethyl]-2-fluorophenyl]pyridin-2-amine (CID 18414435) is 6-[4-[2-[4-(2-amino-2-phenylethyl)piperazin-1-yl]ethyl]-2-fluorophenyl]pyridin-2-amine.
What is the SMILES notation for 6-[4-[2-[4-(2-amino-2-phenylethyl)piperazin-1-yl]ethyl]-2-fluorophenyl]pyridin-2-amine?
The canonical SMILES for 6-[4-[2-[4-(2-amino-2-phenylethyl)piperazin-1-yl]ethyl]-2-fluorophenyl]pyridin-2-amine is Nc1cccc(-c2ccc(CCN3CCN(CC(N)c4ccccc4)CC3)cc2F)n1.
What is the InChIKey of 6-[4-[2-[4-(2-amino-2-phenylethyl)piperazin-1-yl]ethyl]-2-fluorophenyl]pyridin-2-amine?
The InChIKey is IAOKISQCXLUZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5/c26-22-17-19(9-10-21(22)24-7-4-8-25(28)29-24)11-12-30-13-15-31(16-14-30)18-23(27)20-5-2-1-3-6-20/h1-10,17,23H,11-16,18,27H2,(H2,28,29).
What are the key properties of 6-[4-[2-[4-(2-amino-2-phenylethyl)piperazin-1-yl]ethyl]-2-fluorophenyl]pyridin-2-amine?
6-[4-[2-[4-(2-amino-2-phenylethyl)piperazin-1-yl]ethyl]-2-fluorophenyl]pyridin-2-amine has a molecular weight of 419.55 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[4-(2-amino-2-phenylethyl)piperazin-1-yl]ethyl]-2-fluorophenyl]pyridin-2-amine is sourced from PubChem (CID 18414435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).