N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine

C26H30N6 — CID 177249594

IUPACN-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1cccc(-c2cnc(Nc3cccc(C4CCN(CCN)CC4)c3)c3nccn23)c1
InChIInChI=1S/C26H30N6/c1-19-4-2-6-22(16-19)24-18-29-25(26-28-11-15-32(24)26)30-23-7-3-5-21(17-23)20-8-12-31(13-9-20)14-10-27/h2-7,11,15-18,20H,8-10,12-14,27H2,1H3,(H,29,30)
InChIKeyHVZGBXFXHHXBMG-UHFFFAOYSA-N
MW426.57 g/mol
LogP4.59
Rot. Bonds6

About N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine

N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 177249594) has the molecular formula C26H30N6 and a molecular weight of 426.57 g/mol. Its IUPAC name is N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID177249594
Molecular FormulaC26H30N6
Molecular Weight426.57 g/mol
Exact Mass426.25
IUPAC NameN-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1cccc(-c2cnc(Nc3cccc(C4CCN(CCN)CC4)c3)c3nccn23)c1
InChIInChI=1S/C26H30N6/c1-19-4-2-6-22(16-19)24-18-29-25(26-28-11-15-32(24)26)30-23-7-3-5-21(17-23)20-8-12-31(13-9-20)14-10-27/h2-7,11,15-18,20H,8-10,12-14,27H2,1H3,(H,29,30)
InChIKeyHVZGBXFXHHXBMG-UHFFFAOYSA-N
XLogP4.59
TPSA71.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine (CID 177249594) is N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine is Cc1cccc(-c2cnc(Nc3cccc(C4CCN(CCN)CC4)c3)c3nccn23)c1.
What is the InChIKey of N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is HVZGBXFXHHXBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6/c1-19-4-2-6-22(16-19)24-18-29-25(26-28-11-15-32(24)26)30-23-7-3-5-21(17-23)20-8-12-31(13-9-20)14-10-27/h2-7,11,15-18,20H,8-10,12-14,27H2,1H3,(H,29,30).
What are the key properties of N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine?
N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 426.57 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 177249594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).