N-cyclopentyl-5-(4-fluorophenyl)-4-[(3-methylphenyl)methyl]-3,5-dihydro-2H-pyrazin-6-amine

C23H28FN3 — CID 71162006

IUPACN-cyclopentyl-5-(4-fluorophenyl)-4-[(3-methylphenyl)methyl]-3,5-dihydro-2H-pyrazin-6-amine
SMILESCc1cccc(CN2CCN=C(NC3CCCC3)C2c2ccc(F)cc2)c1
InChIInChI=1S/C23H28FN3/c1-17-5-4-6-18(15-17)16-27-14-13-25-23(26-21-7-2-3-8-21)22(27)19-9-11-20(24)12-10-19/h4-6,9-12,15,21-22H,2-3,7-8,13-14,16H2,1H3,(H,25,26)
InChIKeyFEPMEZYOGWHTOQ-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.62
Rot. Bonds4

About N-cyclopentyl-5-(4-fluorophenyl)-4-[(3-methylphenyl)methyl]-3,5-dihydro-2H-pyrazin-6-amine

N-cyclopentyl-5-(4-fluorophenyl)-4-[(3-methylphenyl)methyl]-3,5-dihydro-2H-pyrazin-6-amine (PubChem CID 71162006) has the molecular formula C23H28FN3 and a molecular weight of 365.50 g/mol. Its IUPAC name is N-cyclopentyl-5-(4-fluorophenyl)-4-[(3-methylphenyl)methyl]-3,5-dihydro-2H-pyrazin-6-amine.

Molecular Properties

Compound NameN-cyclopentyl-5-(4-fluorophenyl)-4-[(3-methylphenyl)methyl]-3,5-dihydro-2H-pyrazin-6-amine
PubChem CID71162006
Molecular FormulaC23H28FN3
Molecular Weight365.50 g/mol
Exact Mass365.23
IUPAC NameN-cyclopentyl-5-(4-fluorophenyl)-4-[(3-methylphenyl)methyl]-3,5-dihydro-2H-pyrazin-6-amine
SMILESCc1cccc(CN2CCN=C(NC3CCCC3)C2c2ccc(F)cc2)c1
InChIInChI=1S/C23H28FN3/c1-17-5-4-6-18(15-17)16-27-14-13-25-23(26-21-7-2-3-8-21)22(27)19-9-11-20(24)12-10-19/h4-6,9-12,15,21-22H,2-3,7-8,13-14,16H2,1H3,(H,25,26)
InChIKeyFEPMEZYOGWHTOQ-UHFFFAOYSA-N
XLogP4.62
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(4-fluorophenyl)-4-[(3-methylphenyl)methyl]-3,5-dihydro-2H-pyrazin-6-amine?
The IUPAC name of N-cyclopentyl-5-(4-fluorophenyl)-4-[(3-methylphenyl)methyl]-3,5-dihydro-2H-pyrazin-6-amine (CID 71162006) is N-cyclopentyl-5-(4-fluorophenyl)-4-[(3-methylphenyl)methyl]-3,5-dihydro-2H-pyrazin-6-amine.
What is the SMILES notation for N-cyclopentyl-5-(4-fluorophenyl)-4-[(3-methylphenyl)methyl]-3,5-dihydro-2H-pyrazin-6-amine?
The canonical SMILES for N-cyclopentyl-5-(4-fluorophenyl)-4-[(3-methylphenyl)methyl]-3,5-dihydro-2H-pyrazin-6-amine is Cc1cccc(CN2CCN=C(NC3CCCC3)C2c2ccc(F)cc2)c1.
What is the InChIKey of N-cyclopentyl-5-(4-fluorophenyl)-4-[(3-methylphenyl)methyl]-3,5-dihydro-2H-pyrazin-6-amine?
The InChIKey is FEPMEZYOGWHTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3/c1-17-5-4-6-18(15-17)16-27-14-13-25-23(26-21-7-2-3-8-21)22(27)19-9-11-20(24)12-10-19/h4-6,9-12,15,21-22H,2-3,7-8,13-14,16H2,1H3,(H,25,26).
What are the key properties of N-cyclopentyl-5-(4-fluorophenyl)-4-[(3-methylphenyl)methyl]-3,5-dihydro-2H-pyrazin-6-amine?
N-cyclopentyl-5-(4-fluorophenyl)-4-[(3-methylphenyl)methyl]-3,5-dihydro-2H-pyrazin-6-amine has a molecular weight of 365.50 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(4-fluorophenyl)-4-[(3-methylphenyl)methyl]-3,5-dihydro-2H-pyrazin-6-amine is sourced from PubChem (CID 71162006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).