[4-[5-[4-(aminomethyl)phenyl]-8-(piperidin-4-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanamine

C26H30N6O — CID 164608919

IUPAC[4-[5-[4-(aminomethyl)phenyl]-8-(piperidin-4-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanamine
SMILESNCc1ccc(-c2nc(OCC3CCNCC3)c3nccn3c2-c2ccc(CN)cc2)cc1
InChIInChI=1S/C26H30N6O/c27-15-18-1-5-21(6-2-18)23-24(22-7-3-19(16-28)4-8-22)32-14-13-30-25(32)26(31-23)33-17-20-9-11-29-12-10-20/h1-8,13-14,20,29H,9-12,15-17,27-28H2
InChIKeyRTJRXIRGIOXJFK-UHFFFAOYSA-N
MW442.57 g/mol
LogP3.36
Rot. Bonds7

About [4-[5-[4-(aminomethyl)phenyl]-8-(piperidin-4-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanamine

[4-[5-[4-(aminomethyl)phenyl]-8-(piperidin-4-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanamine (PubChem CID 164608919) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is [4-[5-[4-(aminomethyl)phenyl]-8-(piperidin-4-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[5-[4-(aminomethyl)phenyl]-8-(piperidin-4-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanamine
PubChem CID164608919
Molecular FormulaC26H30N6O
Molecular Weight442.57 g/mol
Exact Mass442.25
IUPAC Name[4-[5-[4-(aminomethyl)phenyl]-8-(piperidin-4-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanamine
SMILESNCc1ccc(-c2nc(OCC3CCNCC3)c3nccn3c2-c2ccc(CN)cc2)cc1
InChIInChI=1S/C26H30N6O/c27-15-18-1-5-21(6-2-18)23-24(22-7-3-19(16-28)4-8-22)32-14-13-30-25(32)26(31-23)33-17-20-9-11-29-12-10-20/h1-8,13-14,20,29H,9-12,15-17,27-28H2
InChIKeyRTJRXIRGIOXJFK-UHFFFAOYSA-N
XLogP3.36
TPSA103.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[5-[4-(aminomethyl)phenyl]-8-(piperidin-4-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanamine?
The IUPAC name of [4-[5-[4-(aminomethyl)phenyl]-8-(piperidin-4-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanamine (CID 164608919) is [4-[5-[4-(aminomethyl)phenyl]-8-(piperidin-4-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanamine.
What is the SMILES notation for [4-[5-[4-(aminomethyl)phenyl]-8-(piperidin-4-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanamine?
The canonical SMILES for [4-[5-[4-(aminomethyl)phenyl]-8-(piperidin-4-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanamine is NCc1ccc(-c2nc(OCC3CCNCC3)c3nccn3c2-c2ccc(CN)cc2)cc1.
What is the InChIKey of [4-[5-[4-(aminomethyl)phenyl]-8-(piperidin-4-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanamine?
The InChIKey is RTJRXIRGIOXJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O/c27-15-18-1-5-21(6-2-18)23-24(22-7-3-19(16-28)4-8-22)32-14-13-30-25(32)26(31-23)33-17-20-9-11-29-12-10-20/h1-8,13-14,20,29H,9-12,15-17,27-28H2.
What are the key properties of [4-[5-[4-(aminomethyl)phenyl]-8-(piperidin-4-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanamine?
[4-[5-[4-(aminomethyl)phenyl]-8-(piperidin-4-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanamine has a molecular weight of 442.57 g/mol, XLogP of 3.36, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[4-(aminomethyl)phenyl]-8-(piperidin-4-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanamine is sourced from PubChem (CID 164608919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).