2-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]ethanol

C25H25N7O2 — CID 59473386

IUPAC2-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]ethanol
SMILESOCCn1ncc2ccc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)cc21
InChIInChI=1S/C25H25N7O2/c33-12-9-32-23-15-18(1-2-19(23)16-27-32)22-17-31-8-7-26-25(31)24(29-22)28-20-3-5-21(6-4-20)30-10-13-34-14-11-30/h1-8,15-17,33H,9-14H2,(H,28,29)
InChIKeyKLLLSNIHZOUPIF-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.32
Rot. Bonds6

About 2-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]ethanol

2-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]ethanol (PubChem CID 59473386) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is 2-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]ethanol
PubChem CID59473386
Molecular FormulaC25H25N7O2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC Name2-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]ethanol
SMILESOCCn1ncc2ccc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)cc21
InChIInChI=1S/C25H25N7O2/c33-12-9-32-23-15-18(1-2-19(23)16-27-32)22-17-31-8-7-26-25(31)24(29-22)28-20-3-5-21(6-4-20)30-10-13-34-14-11-30/h1-8,15-17,33H,9-14H2,(H,28,29)
InChIKeyKLLLSNIHZOUPIF-UHFFFAOYSA-N
XLogP3.32
TPSA92.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]ethanol?
The IUPAC name of 2-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]ethanol (CID 59473386) is 2-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]ethanol.
What is the SMILES notation for 2-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]ethanol?
The canonical SMILES for 2-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]ethanol is OCCn1ncc2ccc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)cc21.
What is the InChIKey of 2-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]ethanol?
The InChIKey is KLLLSNIHZOUPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2/c33-12-9-32-23-15-18(1-2-19(23)16-27-32)22-17-31-8-7-26-25(31)24(29-22)28-20-3-5-21(6-4-20)30-10-13-34-14-11-30/h1-8,15-17,33H,9-14H2,(H,28,29).
What are the key properties of 2-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]ethanol?
2-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]ethanol has a molecular weight of 455.52 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]ethanol is sourced from PubChem (CID 59473386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).