2-[2-morpholin-4-yl-5-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]ethanol

C25H25N7O3 — CID 59473076

IUPAC2-[2-morpholin-4-yl-5-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]ethanol
SMILESOCCOc1cc(Nc2nc(-c3cnc4cc[nH]c4c3)cn3ccnc23)ccc1N1CCOCC1
InChIInChI=1S/C25H25N7O3/c33-9-12-35-23-14-18(1-2-22(23)31-7-10-34-11-8-31)29-24-25-27-5-6-32(25)16-21(30-24)17-13-20-19(28-15-17)3-4-26-20/h1-6,13-16,26,33H,7-12H2,(H,29,30)
InChIKeyPSDSUCBGSUANHG-UHFFFAOYSA-N
MW471.52 g/mol
LogP3.22
Rot. Bonds7

About 2-[2-morpholin-4-yl-5-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]ethanol

2-[2-morpholin-4-yl-5-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]ethanol (PubChem CID 59473076) has the molecular formula C25H25N7O3 and a molecular weight of 471.52 g/mol. Its IUPAC name is 2-[2-morpholin-4-yl-5-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-morpholin-4-yl-5-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]ethanol
PubChem CID59473076
Molecular FormulaC25H25N7O3
Molecular Weight471.52 g/mol
Exact Mass471.20
IUPAC Name2-[2-morpholin-4-yl-5-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]ethanol
SMILESOCCOc1cc(Nc2nc(-c3cnc4cc[nH]c4c3)cn3ccnc23)ccc1N1CCOCC1
InChIInChI=1S/C25H25N7O3/c33-9-12-35-23-14-18(1-2-22(23)31-7-10-34-11-8-31)29-24-25-27-5-6-32(25)16-21(30-24)17-13-20-19(28-15-17)3-4-26-20/h1-6,13-16,26,33H,7-12H2,(H,29,30)
InChIKeyPSDSUCBGSUANHG-UHFFFAOYSA-N
XLogP3.22
TPSA112.83 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[2-morpholin-4-yl-5-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]ethanol with MolForge

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Related Compounds

6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 148686575
N-(3-methoxy-4-morpholin-4-ylphenyl)-6-[5-(methylamino)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-amine
CID 59473561
N-(3-ethoxy-4-morpholin-4-ylphenyl)-6-(4-ethyl-1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine
CID 91368408
6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[3-methoxy-4-(1,4-oxazepan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 90028354
(3R)-1-[4-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol
CID 59473455
[(2S)-4-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]morpholin-2-yl]methanol
CID 59473303
2-[5-[[6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-[4-(oxetan-3-yl)piperazin-1-yl]phenoxy]ethanol
CID 118161065
7-[8-(3-methoxy-4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 72695166
1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-ol
CID 59473477
6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[3-methoxy-4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 72695668
1-[4-[[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-one
CID 72695171
(3R)-1-[2-ethoxy-4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]pyrrolidin-3-ol
CID 59473647

Frequently Asked Questions

What is the IUPAC name of 2-[2-morpholin-4-yl-5-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]ethanol?
The IUPAC name of 2-[2-morpholin-4-yl-5-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]ethanol (CID 59473076) is 2-[2-morpholin-4-yl-5-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]ethanol.
What is the SMILES notation for 2-[2-morpholin-4-yl-5-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]ethanol?
The canonical SMILES for 2-[2-morpholin-4-yl-5-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]ethanol is OCCOc1cc(Nc2nc(-c3cnc4cc[nH]c4c3)cn3ccnc23)ccc1N1CCOCC1.
What is the InChIKey of 2-[2-morpholin-4-yl-5-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]ethanol?
The InChIKey is PSDSUCBGSUANHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O3/c33-9-12-35-23-14-18(1-2-22(23)31-7-10-34-11-8-31)29-24-25-27-5-6-32(25)16-21(30-24)17-13-20-19(28-15-17)3-4-26-20/h1-6,13-16,26,33H,7-12H2,(H,29,30).
What are the key properties of 2-[2-morpholin-4-yl-5-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]ethanol?
2-[2-morpholin-4-yl-5-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]ethanol has a molecular weight of 471.52 g/mol, XLogP of 3.22, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-morpholin-4-yl-5-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]ethanol is sourced from PubChem (CID 59473076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).