[4-[6-[4-(anilinomethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol

C26H22N4O — CID 155552852

IUPAC[4-[6-[4-(anilinomethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
SMILESOCc1ccc(-c2cnc3cnc(-c4ccc(CNc5ccccc5)cc4)cn23)cc1
InChIInChI=1S/C26H22N4O/c31-18-20-8-12-22(13-9-20)25-15-29-26-16-28-24(17-30(25)26)21-10-6-19(7-11-21)14-27-23-4-2-1-3-5-23/h1-13,15-17,27,31H,14,18H2
InChIKeyNMFCOSNJLAURRL-UHFFFAOYSA-N
MW406.49 g/mol
LogP5.17
Rot. Bonds6

About [4-[6-[4-(anilinomethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol

[4-[6-[4-(anilinomethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol (PubChem CID 155552852) has the molecular formula C26H22N4O and a molecular weight of 406.49 g/mol. Its IUPAC name is [4-[6-[4-(anilinomethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[6-[4-(anilinomethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
PubChem CID155552852
Molecular FormulaC26H22N4O
Molecular Weight406.49 g/mol
Exact Mass406.18
IUPAC Name[4-[6-[4-(anilinomethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
SMILESOCc1ccc(-c2cnc3cnc(-c4ccc(CNc5ccccc5)cc4)cn23)cc1
InChIInChI=1S/C26H22N4O/c31-18-20-8-12-22(13-9-20)25-15-29-26-16-28-24(17-30(25)26)21-10-6-19(7-11-21)14-27-23-4-2-1-3-5-23/h1-13,15-17,27,31H,14,18H2
InChIKeyNMFCOSNJLAURRL-UHFFFAOYSA-N
XLogP5.17
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[6-[4-(anilinomethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol?
The IUPAC name of [4-[6-[4-(anilinomethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol (CID 155552852) is [4-[6-[4-(anilinomethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol.
What is the SMILES notation for [4-[6-[4-(anilinomethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol?
The canonical SMILES for [4-[6-[4-(anilinomethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol is OCc1ccc(-c2cnc3cnc(-c4ccc(CNc5ccccc5)cc4)cn23)cc1.
What is the InChIKey of [4-[6-[4-(anilinomethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol?
The InChIKey is NMFCOSNJLAURRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O/c31-18-20-8-12-22(13-9-20)25-15-29-26-16-28-24(17-30(25)26)21-10-6-19(7-11-21)14-27-23-4-2-1-3-5-23/h1-13,15-17,27,31H,14,18H2.
What are the key properties of [4-[6-[4-(anilinomethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol?
[4-[6-[4-(anilinomethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol has a molecular weight of 406.49 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[4-(anilinomethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol is sourced from PubChem (CID 155552852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).