7-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]isoquinolin-3-amine

C25H23N7O — CID 91322918

IUPAC7-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]isoquinolin-3-amine
SMILESNc1cc2ccc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)cc2cn1
InChIInChI=1S/C25H23N7O/c26-23-14-17-1-2-18(13-19(17)15-28-23)22-16-32-8-7-27-25(32)24(30-22)29-20-3-5-21(6-4-20)31-9-11-33-12-10-31/h1-8,13-16H,9-12H2,(H2,26,28)(H,29,30)
InChIKeyXMVYBQIEVNCWIY-UHFFFAOYSA-N
MW437.51 g/mol
LogP4.11
Rot. Bonds4

About 7-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]isoquinolin-3-amine

7-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]isoquinolin-3-amine (PubChem CID 91322918) has the molecular formula C25H23N7O and a molecular weight of 437.51 g/mol. Its IUPAC name is 7-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]isoquinolin-3-amine.

Molecular Properties

Compound Name7-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]isoquinolin-3-amine
PubChem CID91322918
Molecular FormulaC25H23N7O
Molecular Weight437.51 g/mol
Exact Mass437.20
IUPAC Name7-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]isoquinolin-3-amine
SMILESNc1cc2ccc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)cc2cn1
InChIInChI=1S/C25H23N7O/c26-23-14-17-1-2-18(13-19(17)15-28-23)22-16-32-8-7-27-25(32)24(30-22)29-20-3-5-21(6-4-20)31-9-11-33-12-10-31/h1-8,13-16H,9-12H2,(H2,26,28)(H,29,30)
InChIKeyXMVYBQIEVNCWIY-UHFFFAOYSA-N
XLogP4.11
TPSA93.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 7-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]isoquinolin-3-amine?
The IUPAC name of 7-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]isoquinolin-3-amine (CID 91322918) is 7-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]isoquinolin-3-amine.
What is the SMILES notation for 7-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]isoquinolin-3-amine?
The canonical SMILES for 7-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]isoquinolin-3-amine is Nc1cc2ccc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)cc2cn1.
What is the InChIKey of 7-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]isoquinolin-3-amine?
The InChIKey is XMVYBQIEVNCWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O/c26-23-14-17-1-2-18(13-19(17)15-28-23)22-16-32-8-7-27-25(32)24(30-22)29-20-3-5-21(6-4-20)31-9-11-33-12-10-31/h1-8,13-16H,9-12H2,(H2,26,28)(H,29,30).
What are the key properties of 7-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]isoquinolin-3-amine?
7-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]isoquinolin-3-amine has a molecular weight of 437.51 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]isoquinolin-3-amine is sourced from PubChem (CID 91322918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).