2-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethanol

C22H21N7O — CID 59473598

IUPAC2-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethanol
SMILESCN(CCO)c1ccc(Nc2nc(-c3ccc4cn[nH]c4c3)cn3ccnc23)cc1
InChIInChI=1S/C22H21N7O/c1-28(10-11-30)18-6-4-17(5-7-18)25-21-22-23-8-9-29(22)14-20(26-21)15-2-3-16-13-24-27-19(16)12-15/h2-9,12-14,30H,10-11H2,1H3,(H,24,27)(H,25,26)
InChIKeyZSSHHWNMBCTZSS-UHFFFAOYSA-N
MW399.46 g/mol
LogP3.44
Rot. Bonds6

About 2-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethanol

2-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethanol (PubChem CID 59473598) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is 2-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethanol.

Molecular Properties

Compound Name2-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethanol
PubChem CID59473598
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name2-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethanol
SMILESCN(CCO)c1ccc(Nc2nc(-c3ccc4cn[nH]c4c3)cn3ccnc23)cc1
InChIInChI=1S/C22H21N7O/c1-28(10-11-30)18-6-4-17(5-7-18)25-21-22-23-8-9-29(22)14-20(26-21)15-2-3-16-13-24-27-19(16)12-15/h2-9,12-14,30H,10-11H2,1H3,(H,24,27)(H,25,26)
InChIKeyZSSHHWNMBCTZSS-UHFFFAOYSA-N
XLogP3.44
TPSA94.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethanol?
The IUPAC name of 2-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethanol (CID 59473598) is 2-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethanol.
What is the SMILES notation for 2-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethanol?
The canonical SMILES for 2-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethanol is CN(CCO)c1ccc(Nc2nc(-c3ccc4cn[nH]c4c3)cn3ccnc23)cc1.
What is the InChIKey of 2-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethanol?
The InChIKey is ZSSHHWNMBCTZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c1-28(10-11-30)18-6-4-17(5-7-18)25-21-22-23-8-9-29(22)14-20(26-21)15-2-3-16-13-24-27-19(16)12-15/h2-9,12-14,30H,10-11H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethanol?
2-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethanol has a molecular weight of 399.46 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethanol is sourced from PubChem (CID 59473598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).