6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(2-oxo-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

C28H18ClFN8O2 — CID 167066835

IUPAC6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(2-oxo-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESO=c1ccc2cc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3F)ccc2[nH]1
InChIInChI=1S/C28H18ClFN8O2/c29-16-3-5-21(37-12-31-35-36-37)17(10-16)15-8-22-18-11-19(18)26(38(22)24(40)9-15)28-33-25(27(30)34-28)14-1-4-20-13(7-14)2-6-23(39)32-20/h1-10,12,18-19,26H,11H2,(H,32,39)(H,33,34)
InChIKeyQAFWZMUJHVVLCZ-UHFFFAOYSA-N
MW552.96 g/mol
LogP4.22
Rot. Bonds4

About 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(2-oxo-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(2-oxo-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (PubChem CID 167066835) has the molecular formula C28H18ClFN8O2 and a molecular weight of 552.96 g/mol. Its IUPAC name is 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(2-oxo-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.

Molecular Properties

Compound Name6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(2-oxo-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
PubChem CID167066835
Molecular FormulaC28H18ClFN8O2
Molecular Weight552.96 g/mol
Exact Mass552.12
IUPAC Name6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(2-oxo-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESO=c1ccc2cc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3F)ccc2[nH]1
InChIInChI=1S/C28H18ClFN8O2/c29-16-3-5-21(37-12-31-35-36-37)17(10-16)15-8-22-18-11-19(18)26(38(22)24(40)9-15)28-33-25(27(30)34-28)14-1-4-20-13(7-14)2-6-23(39)32-20/h1-10,12,18-19,26H,11H2,(H,32,39)(H,33,34)
InChIKeyQAFWZMUJHVVLCZ-UHFFFAOYSA-N
XLogP4.22
TPSA127.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.96
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

7-[2-[6-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-2-yl]-5-fluoro-1H-imidazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 167066791
2-[4-(4-amino-2,3-difluorophenyl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
CID 167066731
6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(2-methylidene-1,4-dihydro-3,1-benzoxazin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
CID 167627406
2-[4-(4-amino-2-fluoro-3-methanimidoylphenyl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
CID 167067013
4-[2-[6-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-2-yl]-1H-imidazol-5-yl]-2-fluorobenzonitrile
CID 167066969
10-[5-chloro-2-(tetrazol-1-yl)phenyl]-6-[5-fluoro-4-[2-oxo-3-(trifluoromethyl)-1H-quinoxalin-6-yl]-1H-imidazol-2-yl]-7-azatetracyclo[5.4.0.02,4.03,5]undeca-1(11),9-dien-8-one
CID 167222573
6-[2-[(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-5-fluoro-1H-imidazol-4-yl]-3-(trifluoromethyl)-1H-quinolin-2-one
CID 174026685
6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
CID 167543008
(1aS,2S,7bR)-2-[5-(4-amino-2,3-difluorophenyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
CID 167222479
2-[4-(3-amino-1,2-benzoxazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
CID 167066517
2-[5-[4-amino-2-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
CID 167066664
6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(2-methylidene-1,4-dihydro-3,1-benzoxazin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
CID 167627408

Frequently Asked Questions

What is the IUPAC name of 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(2-oxo-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The IUPAC name of 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(2-oxo-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (CID 167066835) is 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(2-oxo-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.
What is the SMILES notation for 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(2-oxo-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The canonical SMILES for 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(2-oxo-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is O=c1ccc2cc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3F)ccc2[nH]1.
What is the InChIKey of 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(2-oxo-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The InChIKey is QAFWZMUJHVVLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18ClFN8O2/c29-16-3-5-21(37-12-31-35-36-37)17(10-16)15-8-22-18-11-19(18)26(38(22)24(40)9-15)28-33-25(27(30)34-28)14-1-4-20-13(7-14)2-6-23(39)32-20/h1-10,12,18-19,26H,11H2,(H,32,39)(H,33,34).
What are the key properties of 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(2-oxo-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(2-oxo-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one has a molecular weight of 552.96 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(2-oxo-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is sourced from PubChem (CID 167066835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).