6-(1,3-dimethylindazol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;formamide

C26H28N8O2 — CID 134363086

IUPAC6-(1,3-dimethylindazol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;formamide
SMILESCc1nn(C)c2cc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)ccc12.NC=O
InChIInChI=1S/C25H25N7O.CH3NO/c1-17-21-8-3-18(15-23(21)30(2)29-17)22-16-32-10-9-26-25(32)24(28-22)27-19-4-6-20(7-5-19)31-11-13-33-14-12-31;2-1-3/h3-10,15-16H,11-14H2,1-2H3,(H,27,28);1H,(H2,2,3)
InChIKeyRWFLZFGVJTXVMM-UHFFFAOYSA-N
MW484.56 g/mol
LogP3.27
Rot. Bonds4

About 6-(1,3-dimethylindazol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;formamide

6-(1,3-dimethylindazol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;formamide (PubChem CID 134363086) has the molecular formula C26H28N8O2 and a molecular weight of 484.56 g/mol. Its IUPAC name is 6-(1,3-dimethylindazol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;formamide.

Molecular Properties

Compound Name6-(1,3-dimethylindazol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;formamide
PubChem CID134363086
Molecular FormulaC26H28N8O2
Molecular Weight484.56 g/mol
Exact Mass484.23
IUPAC Name6-(1,3-dimethylindazol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;formamide
SMILESCc1nn(C)c2cc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)ccc12.NC=O
InChIInChI=1S/C25H25N7O.CH3NO/c1-17-21-8-3-18(15-23(21)30(2)29-17)22-16-32-10-9-26-25(32)24(28-22)27-19-4-6-20(7-5-19)31-11-13-33-14-12-31;2-1-3/h3-10,15-16H,11-14H2,1-2H3,(H,27,28);1H,(H2,2,3)
InChIKeyRWFLZFGVJTXVMM-UHFFFAOYSA-N
XLogP3.27
TPSA115.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dimethylindazol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;formamide?
The IUPAC name of 6-(1,3-dimethylindazol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;formamide (CID 134363086) is 6-(1,3-dimethylindazol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;formamide.
What is the SMILES notation for 6-(1,3-dimethylindazol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;formamide?
The canonical SMILES for 6-(1,3-dimethylindazol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;formamide is Cc1nn(C)c2cc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)ccc12.NC=O.
What is the InChIKey of 6-(1,3-dimethylindazol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;formamide?
The InChIKey is RWFLZFGVJTXVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O.CH3NO/c1-17-21-8-3-18(15-23(21)30(2)29-17)22-16-32-10-9-26-25(32)24(28-22)27-19-4-6-20(7-5-19)31-11-13-33-14-12-31;2-1-3/h3-10,15-16H,11-14H2,1-2H3,(H,27,28);1H,(H2,2,3).
What are the key properties of 6-(1,3-dimethylindazol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;formamide?
6-(1,3-dimethylindazol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;formamide has a molecular weight of 484.56 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dimethylindazol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;formamide is sourced from PubChem (CID 134363086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).