2-[5-(3-amino-7-fluoro-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

C27H17Cl2FN8O2 — CID 167066882

IUPAC2-[5-(3-amino-7-fluoro-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESNc1noc2c(F)c(-c3cnc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)[nH]3)ccc12
InChIInChI=1S/C27H17Cl2FN8O2/c28-12-1-4-19(37-10-21(29)34-36-37)15(7-12)11-5-20-16-8-17(16)24(38(20)22(39)6-11)27-32-9-18(33-27)13-2-3-14-25(23(13)30)40-35-26(14)31/h1-7,9-10,16-17,24H,8H2,(H2,31,35)(H,32,33)
InChIKeyUHSWIQZJMZOTBO-UHFFFAOYSA-N
MW575.39 g/mol
LogP5.36
Rot. Bonds4

About 2-[5-(3-amino-7-fluoro-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

2-[5-(3-amino-7-fluoro-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (PubChem CID 167066882) has the molecular formula C27H17Cl2FN8O2 and a molecular weight of 575.39 g/mol. Its IUPAC name is 2-[5-(3-amino-7-fluoro-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.

Molecular Properties

Compound Name2-[5-(3-amino-7-fluoro-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
PubChem CID167066882
Molecular FormulaC27H17Cl2FN8O2
Molecular Weight575.39 g/mol
Exact Mass574.08
IUPAC Name2-[5-(3-amino-7-fluoro-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESNc1noc2c(F)c(-c3cnc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)[nH]3)ccc12
InChIInChI=1S/C27H17Cl2FN8O2/c28-12-1-4-19(37-10-21(29)34-36-37)15(7-12)11-5-20-16-8-17(16)24(38(20)22(39)6-11)27-32-9-18(33-27)13-2-3-14-25(23(13)30)40-35-26(14)31/h1-7,9-10,16-17,24H,8H2,(H2,31,35)(H,32,33)
InChIKeyUHSWIQZJMZOTBO-UHFFFAOYSA-N
XLogP5.36
TPSA133.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.39
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[5-(3-amino-7-fluoro-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-amino-7-fluoro-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The IUPAC name of 2-[5-(3-amino-7-fluoro-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (CID 167066882) is 2-[5-(3-amino-7-fluoro-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.
What is the SMILES notation for 2-[5-(3-amino-7-fluoro-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The canonical SMILES for 2-[5-(3-amino-7-fluoro-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is Nc1noc2c(F)c(-c3cnc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)[nH]3)ccc12.
What is the InChIKey of 2-[5-(3-amino-7-fluoro-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The InChIKey is UHSWIQZJMZOTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17Cl2FN8O2/c28-12-1-4-19(37-10-21(29)34-36-37)15(7-12)11-5-20-16-8-17(16)24(38(20)22(39)6-11)27-32-9-18(33-27)13-2-3-14-25(23(13)30)40-35-26(14)31/h1-7,9-10,16-17,24H,8H2,(H2,31,35)(H,32,33).
What are the key properties of 2-[5-(3-amino-7-fluoro-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
2-[5-(3-amino-7-fluoro-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one has a molecular weight of 575.39 g/mol, XLogP of 5.36, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-amino-7-fluoro-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is sourced from PubChem (CID 167066882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).