4-[6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol

C25H27N5O — CID 137001370

IUPAC4-[6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCC(C)N1CCN(c2ccc(-c3cn4c(-c5ccc(O)cc5)cnc4cn3)cc2)CC1
InChIInChI=1S/C25H27N5O/c1-18(2)28-11-13-29(14-12-28)21-7-3-19(4-8-21)23-17-30-24(15-27-25(30)16-26-23)20-5-9-22(31)10-6-20/h3-10,15-18,31H,11-14H2,1-2H3
InChIKeyGYUDLOMBZNPLEN-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.30
Rot. Bonds4

About 4-[6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol

4-[6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 137001370) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is 4-[6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name4-[6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID137001370
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name4-[6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCC(C)N1CCN(c2ccc(-c3cn4c(-c5ccc(O)cc5)cnc4cn3)cc2)CC1
InChIInChI=1S/C25H27N5O/c1-18(2)28-11-13-29(14-12-28)21-7-3-19(4-8-21)23-17-30-24(15-27-25(30)16-26-23)20-5-9-22(31)10-6-20/h3-10,15-18,31H,11-14H2,1-2H3
InChIKeyGYUDLOMBZNPLEN-UHFFFAOYSA-N
XLogP4.30
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of 4-[6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol (CID 137001370) is 4-[6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for 4-[6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for 4-[6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol is CC(C)N1CCN(c2ccc(-c3cn4c(-c5ccc(O)cc5)cnc4cn3)cc2)CC1.
What is the InChIKey of 4-[6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is GYUDLOMBZNPLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c1-18(2)28-11-13-29(14-12-28)21-7-3-19(4-8-21)23-17-30-24(15-27-25(30)16-26-23)20-5-9-22(31)10-6-20/h3-10,15-18,31H,11-14H2,1-2H3.
What are the key properties of 4-[6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
4-[6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 413.53 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 137001370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).