2-[4-[[6-(1H-indol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-2-methylpropan-1-ol

C24H23N5O — CID 59473478

IUPAC2-[4-[[6-(1H-indol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccc(Nc2nc(-c3ccc4cc[nH]c4c3)cn3ccnc23)cc1
InChIInChI=1S/C24H23N5O/c1-24(2,15-30)18-5-7-19(8-6-18)27-22-23-26-11-12-29(23)14-21(28-22)17-4-3-16-9-10-25-20(16)13-17/h3-14,25,30H,15H2,1-2H3,(H,27,28)
InChIKeyCLMBDIYJGRLLPX-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.89
Rot. Bonds5

About 2-[4-[[6-(1H-indol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-2-methylpropan-1-ol

2-[4-[[6-(1H-indol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-2-methylpropan-1-ol (PubChem CID 59473478) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[4-[[6-(1H-indol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[4-[[6-(1H-indol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-2-methylpropan-1-ol
PubChem CID59473478
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name2-[4-[[6-(1H-indol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccc(Nc2nc(-c3ccc4cc[nH]c4c3)cn3ccnc23)cc1
InChIInChI=1S/C24H23N5O/c1-24(2,15-30)18-5-7-19(8-6-18)27-22-23-26-11-12-29(23)14-21(28-22)17-4-3-16-9-10-25-20(16)13-17/h3-14,25,30H,15H2,1-2H3,(H,27,28)
InChIKeyCLMBDIYJGRLLPX-UHFFFAOYSA-N
XLogP4.89
TPSA78.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-(1H-indol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[4-[[6-(1H-indol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-2-methylpropan-1-ol (CID 59473478) is 2-[4-[[6-(1H-indol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[4-[[6-(1H-indol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[4-[[6-(1H-indol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-2-methylpropan-1-ol is CC(C)(CO)c1ccc(Nc2nc(-c3ccc4cc[nH]c4c3)cn3ccnc23)cc1.
What is the InChIKey of 2-[4-[[6-(1H-indol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-2-methylpropan-1-ol?
The InChIKey is CLMBDIYJGRLLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-24(2,15-30)18-5-7-19(8-6-18)27-22-23-26-11-12-29(23)14-21(28-22)17-4-3-16-9-10-25-20(16)13-17/h3-14,25,30H,15H2,1-2H3,(H,27,28).
What are the key properties of 2-[4-[[6-(1H-indol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-2-methylpropan-1-ol?
2-[4-[[6-(1H-indol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-2-methylpropan-1-ol has a molecular weight of 397.48 g/mol, XLogP of 4.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[6-(1H-indol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 59473478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).