8-(4-fluorophenyl)-N-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

C33H23F2N11O — CID 67378954

IUPAC8-(4-fluorophenyl)-N-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESCOc1cc(N(c2nc3c(-c4ccc(F)cc4)nccn3n2)c2nc3c(-c4ccc(F)cc4)nccn3n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C33H23F2N11O/c1-20-18-43(19-38-20)26-12-11-25(17-27(26)47-2)46(32-39-30-28(36-13-15-44(30)41-32)21-3-7-23(34)8-4-21)33-40-31-29(37-14-16-45(31)42-33)22-5-9-24(35)10-6-22/h3-19H,1-2H3
InChIKeyBMRICXQRPHVYNI-UHFFFAOYSA-N
MW627.62 g/mol
LogP6.15
Rot. Bonds7

About 8-(4-fluorophenyl)-N-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

8-(4-fluorophenyl)-N-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (PubChem CID 67378954) has the molecular formula C33H23F2N11O and a molecular weight of 627.62 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-N-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.

Molecular Properties

Compound Name8-(4-fluorophenyl)-N-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
PubChem CID67378954
Molecular FormulaC33H23F2N11O
Molecular Weight627.62 g/mol
Exact Mass627.21
IUPAC Name8-(4-fluorophenyl)-N-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESCOc1cc(N(c2nc3c(-c4ccc(F)cc4)nccn3n2)c2nc3c(-c4ccc(F)cc4)nccn3n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C33H23F2N11O/c1-20-18-43(19-38-20)26-12-11-25(17-27(26)47-2)46(32-39-30-28(36-13-15-44(30)41-32)21-3-7-23(34)8-4-21)33-40-31-29(37-14-16-45(31)42-33)22-5-9-24(35)10-6-22/h3-19H,1-2H3
InChIKeyBMRICXQRPHVYNI-UHFFFAOYSA-N
XLogP6.15
TPSA116.45 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500627.62
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 8-(4-fluorophenyl)-N-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-N-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The IUPAC name of 8-(4-fluorophenyl)-N-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (CID 67378954) is 8-(4-fluorophenyl)-N-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.
What is the SMILES notation for 8-(4-fluorophenyl)-N-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The canonical SMILES for 8-(4-fluorophenyl)-N-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is COc1cc(N(c2nc3c(-c4ccc(F)cc4)nccn3n2)c2nc3c(-c4ccc(F)cc4)nccn3n2)ccc1-n1cnc(C)c1.
What is the InChIKey of 8-(4-fluorophenyl)-N-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The InChIKey is BMRICXQRPHVYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23F2N11O/c1-20-18-43(19-38-20)26-12-11-25(17-27(26)47-2)46(32-39-30-28(36-13-15-44(30)41-32)21-3-7-23(34)8-4-21)33-40-31-29(37-14-16-45(31)42-33)22-5-9-24(35)10-6-22/h3-19H,1-2H3.
What are the key properties of 8-(4-fluorophenyl)-N-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
8-(4-fluorophenyl)-N-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine has a molecular weight of 627.62 g/mol, XLogP of 6.15, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-N-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is sourced from PubChem (CID 67378954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).