[4-[5-(cyclohexylmethoxy)-3-[4-(furan-3-yl)phenyl]pyrazin-2-yl]phenyl]methanamine

C28H29N3O2 — CID 155194352

IUPAC[4-[5-(cyclohexylmethoxy)-3-[4-(furan-3-yl)phenyl]pyrazin-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2ncc(OCC3CCCCC3)nc2-c2ccc(-c3ccoc3)cc2)cc1
InChIInChI=1S/C28H29N3O2/c29-16-20-6-8-23(9-7-20)27-28(24-12-10-22(11-13-24)25-14-15-32-19-25)31-26(17-30-27)33-18-21-4-2-1-3-5-21/h6-15,17,19,21H,1-5,16,18,29H2
InChIKeyKDVIDLHMDUXIPY-UHFFFAOYSA-N
MW439.56 g/mol
LogP6.49
Rot. Bonds7

About [4-[5-(cyclohexylmethoxy)-3-[4-(furan-3-yl)phenyl]pyrazin-2-yl]phenyl]methanamine

[4-[5-(cyclohexylmethoxy)-3-[4-(furan-3-yl)phenyl]pyrazin-2-yl]phenyl]methanamine (PubChem CID 155194352) has the molecular formula C28H29N3O2 and a molecular weight of 439.56 g/mol. Its IUPAC name is [4-[5-(cyclohexylmethoxy)-3-[4-(furan-3-yl)phenyl]pyrazin-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[5-(cyclohexylmethoxy)-3-[4-(furan-3-yl)phenyl]pyrazin-2-yl]phenyl]methanamine
PubChem CID155194352
Molecular FormulaC28H29N3O2
Molecular Weight439.56 g/mol
Exact Mass439.23
IUPAC Name[4-[5-(cyclohexylmethoxy)-3-[4-(furan-3-yl)phenyl]pyrazin-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2ncc(OCC3CCCCC3)nc2-c2ccc(-c3ccoc3)cc2)cc1
InChIInChI=1S/C28H29N3O2/c29-16-20-6-8-23(9-7-20)27-28(24-12-10-22(11-13-24)25-14-15-32-19-25)31-26(17-30-27)33-18-21-4-2-1-3-5-21/h6-15,17,19,21H,1-5,16,18,29H2
InChIKeyKDVIDLHMDUXIPY-UHFFFAOYSA-N
XLogP6.49
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.56
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[5-(cyclohexylmethoxy)-3-[4-(furan-3-yl)phenyl]pyrazin-2-yl]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[5-(cyclohexylmethoxy)-3-[4-(furan-3-yl)phenyl]pyrazin-2-yl]phenyl]methanamine?
The IUPAC name of [4-[5-(cyclohexylmethoxy)-3-[4-(furan-3-yl)phenyl]pyrazin-2-yl]phenyl]methanamine (CID 155194352) is [4-[5-(cyclohexylmethoxy)-3-[4-(furan-3-yl)phenyl]pyrazin-2-yl]phenyl]methanamine.
What is the SMILES notation for [4-[5-(cyclohexylmethoxy)-3-[4-(furan-3-yl)phenyl]pyrazin-2-yl]phenyl]methanamine?
The canonical SMILES for [4-[5-(cyclohexylmethoxy)-3-[4-(furan-3-yl)phenyl]pyrazin-2-yl]phenyl]methanamine is NCc1ccc(-c2ncc(OCC3CCCCC3)nc2-c2ccc(-c3ccoc3)cc2)cc1.
What is the InChIKey of [4-[5-(cyclohexylmethoxy)-3-[4-(furan-3-yl)phenyl]pyrazin-2-yl]phenyl]methanamine?
The InChIKey is KDVIDLHMDUXIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O2/c29-16-20-6-8-23(9-7-20)27-28(24-12-10-22(11-13-24)25-14-15-32-19-25)31-26(17-30-27)33-18-21-4-2-1-3-5-21/h6-15,17,19,21H,1-5,16,18,29H2.
What are the key properties of [4-[5-(cyclohexylmethoxy)-3-[4-(furan-3-yl)phenyl]pyrazin-2-yl]phenyl]methanamine?
[4-[5-(cyclohexylmethoxy)-3-[4-(furan-3-yl)phenyl]pyrazin-2-yl]phenyl]methanamine has a molecular weight of 439.56 g/mol, XLogP of 6.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(cyclohexylmethoxy)-3-[4-(furan-3-yl)phenyl]pyrazin-2-yl]phenyl]methanamine is sourced from PubChem (CID 155194352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).