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

C23H22N6O2 — CID 59473592

IUPAC1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-2-methylpropan-2-ol
SMILESCC(C)(O)COc1ccc(Nc2nc(-c3ccc4cn[nH]c4c3)cn3ccnc23)cc1
InChIInChI=1S/C23H22N6O2/c1-23(2,30)14-31-18-7-5-17(6-8-18)26-21-22-24-9-10-29(22)13-20(27-21)15-3-4-16-12-25-28-19(16)11-15/h3-13,30H,14H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyNKSWLLOMMDUYDD-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.17
Rot. Bonds6

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

1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-2-methylpropan-2-ol (PubChem CID 59473592) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-2-methylpropan-2-ol
PubChem CID59473592
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-2-methylpropan-2-ol
SMILESCC(C)(O)COc1ccc(Nc2nc(-c3ccc4cn[nH]c4c3)cn3ccnc23)cc1
InChIInChI=1S/C23H22N6O2/c1-23(2,30)14-31-18-7-5-17(6-8-18)26-21-22-24-9-10-29(22)13-20(27-21)15-3-4-16-12-25-28-19(16)11-15/h3-13,30H,14H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyNKSWLLOMMDUYDD-UHFFFAOYSA-N
XLogP4.17
TPSA100.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-2-methylpropan-2-ol (CID 59473592) is 1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-2-methylpropan-2-ol is CC(C)(O)COc1ccc(Nc2nc(-c3ccc4cn[nH]c4c3)cn3ccnc23)cc1.
What is the InChIKey of 1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-2-methylpropan-2-ol?
The InChIKey is NKSWLLOMMDUYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-23(2,30)14-31-18-7-5-17(6-8-18)26-21-22-24-9-10-29(22)13-20(27-21)15-3-4-16-12-25-28-19(16)11-15/h3-13,30H,14H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-2-methylpropan-2-ol?
1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-2-methylpropan-2-ol has a molecular weight of 414.47 g/mol, XLogP of 4.17, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-2-methylpropan-2-ol is sourced from PubChem (CID 59473592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).