[3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol

C22H18N4O — CID 155538952

IUPAC[3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
SMILESCn1ccc2cc(-c3cn4c(-c5cccc(CO)c5)cnc4cn3)ccc21
InChIInChI=1S/C22H18N4O/c1-25-8-7-18-10-16(5-6-20(18)25)19-13-26-21(11-24-22(26)12-23-19)17-4-2-3-15(9-17)14-27/h2-13,27H,14H2,1H3
InChIKeyYXPZVYJDDZGZCE-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.05
Rot. Bonds3

About [3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol

[3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol (PubChem CID 155538952) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is [3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
PubChem CID155538952
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name[3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
SMILESCn1ccc2cc(-c3cn4c(-c5cccc(CO)c5)cnc4cn3)ccc21
InChIInChI=1S/C22H18N4O/c1-25-8-7-18-10-16(5-6-20(18)25)19-13-26-21(11-24-22(26)12-23-19)17-4-2-3-15(9-17)14-27/h2-13,27H,14H2,1H3
InChIKeyYXPZVYJDDZGZCE-UHFFFAOYSA-N
XLogP4.05
TPSA55.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol?
The IUPAC name of [3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol (CID 155538952) is [3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol.
What is the SMILES notation for [3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol?
The canonical SMILES for [3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol is Cn1ccc2cc(-c3cn4c(-c5cccc(CO)c5)cnc4cn3)ccc21.
What is the InChIKey of [3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol?
The InChIKey is YXPZVYJDDZGZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-25-8-7-18-10-16(5-6-20(18)25)19-13-26-21(11-24-22(26)12-23-19)17-4-2-3-15(9-17)14-27/h2-13,27H,14H2,1H3.
What are the key properties of [3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol?
[3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol has a molecular weight of 354.41 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol is sourced from PubChem (CID 155538952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).