2-[4-[[6-(2-aminoquinazolin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]propan-2-ol;6-(1H-indazol-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine

C47H44N14O3 — CID 67423213

IUPAC2-[4-[[6-(2-aminoquinazolin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]propan-2-ol;6-(1H-indazol-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCC(C)(O)c1ccc(Nc2nc(-c3ccc4nc(N)ncc4c3)cn3ccnc23)cc1.COc1cc(Nc2nc(-c3ccc4cn[nH]c4c3)cn3ccnc23)ccc1N1CCOCC1
InChIInChI=1S/C24H23N7O2.C23H21N7O/c1-32-22-13-18(4-5-21(22)30-8-10-33-11-9-30)27-23-24-25-6-7-31(24)15-20(28-23)16-2-3-17-14-26-29-19(17)12-16;1-23(2,31)16-4-6-17(7-5-16)27-20-21-25-9-10-30(21)13-19(28-20)14-3-8-18-15(11-14)12-26-22(24)29-18/h2-7,12-15H,8-11H2,1H3,(H,26,29)(H,27,28);3-13,31H,1-2H3,(H,27,28)(H2,24,26,29)
InChIKeyJHIBLMCBWXGSGL-UHFFFAOYSA-N
MW852.96 g/mol
LogP7.75
Rot. Bonds9

About 2-[4-[[6-(2-aminoquinazolin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]propan-2-ol;6-(1H-indazol-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine

2-[4-[[6-(2-aminoquinazolin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]propan-2-ol;6-(1H-indazol-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 67423213) has the molecular formula C47H44N14O3 and a molecular weight of 852.96 g/mol. Its IUPAC name is 2-[4-[[6-(2-aminoquinazolin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]propan-2-ol;6-(1H-indazol-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name2-[4-[[6-(2-aminoquinazolin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]propan-2-ol;6-(1H-indazol-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID67423213
Molecular FormulaC47H44N14O3
Molecular Weight852.96 g/mol
Exact Mass852.37
IUPAC Name2-[4-[[6-(2-aminoquinazolin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]propan-2-ol;6-(1H-indazol-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCC(C)(O)c1ccc(Nc2nc(-c3ccc4nc(N)ncc4c3)cn3ccnc23)cc1.COc1cc(Nc2nc(-c3ccc4cn[nH]c4c3)cn3ccnc23)ccc1N1CCOCC1
InChIInChI=1S/C24H23N7O2.C23H21N7O/c1-32-22-13-18(4-5-21(22)30-8-10-33-11-9-30)27-23-24-25-6-7-31(24)15-20(28-23)16-2-3-17-14-26-29-19(17)12-16;1-23(2,31)16-4-6-17(7-5-16)27-20-21-25-9-10-30(21)13-19(28-20)14-3-8-18-15(11-14)12-26-22(24)29-18/h2-7,12-15H,8-11H2,1H3,(H,26,29)(H,27,28);3-13,31H,1-2H3,(H,27,28)(H2,24,26,29)
InChIKeyJHIBLMCBWXGSGL-UHFFFAOYSA-N
XLogP7.75
TPSA206.85 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500852.96
LogP ≤ 57.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-[4-[[6-(2-aminoquinazolin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]propan-2-ol;6-(1H-indazol-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-(2-aminoquinazolin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]propan-2-ol;6-(1H-indazol-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 2-[4-[[6-(2-aminoquinazolin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]propan-2-ol;6-(1H-indazol-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine (CID 67423213) is 2-[4-[[6-(2-aminoquinazolin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]propan-2-ol;6-(1H-indazol-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 2-[4-[[6-(2-aminoquinazolin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]propan-2-ol;6-(1H-indazol-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 2-[4-[[6-(2-aminoquinazolin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]propan-2-ol;6-(1H-indazol-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine is CC(C)(O)c1ccc(Nc2nc(-c3ccc4nc(N)ncc4c3)cn3ccnc23)cc1.COc1cc(Nc2nc(-c3ccc4cn[nH]c4c3)cn3ccnc23)ccc1N1CCOCC1.
What is the InChIKey of 2-[4-[[6-(2-aminoquinazolin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]propan-2-ol;6-(1H-indazol-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is JHIBLMCBWXGSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2.C23H21N7O/c1-32-22-13-18(4-5-21(22)30-8-10-33-11-9-30)27-23-24-25-6-7-31(24)15-20(28-23)16-2-3-17-14-26-29-19(17)12-16;1-23(2,31)16-4-6-17(7-5-16)27-20-21-25-9-10-30(21)13-19(28-20)14-3-8-18-15(11-14)12-26-22(24)29-18/h2-7,12-15H,8-11H2,1H3,(H,26,29)(H,27,28);3-13,31H,1-2H3,(H,27,28)(H2,24,26,29).
What are the key properties of 2-[4-[[6-(2-aminoquinazolin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]propan-2-ol;6-(1H-indazol-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine?
2-[4-[[6-(2-aminoquinazolin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]propan-2-ol;6-(1H-indazol-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 852.96 g/mol, XLogP of 7.75, 9 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[6-(2-aminoquinazolin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]propan-2-ol;6-(1H-indazol-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 67423213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).