6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-cyclopropyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,3-dimethyl-2-methylidene-1,4-dihydroquinolin-6-yl)-5-fluoro-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-methylidene-3-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinolin-6-yl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

C93H73Cl3F6N24O4 — CID 167607629

IUPAC6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-cyclopropyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,3-dimethyl-2-methylidene-1,4-dihydroquinolin-6-yl)-5-fluoro-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-methylidene-3-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinolin-6-yl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESC=C1Nc2ccc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3F)cc2CC1(C)C.C=C1Nc2ccc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3F)cc2CC1CC(F)(F)F.O=C1Nc2ccc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3F)cc2CC1C1CC1
InChIInChI=1S/C31H23ClF4N8O.C31H24ClFN8O2.C31H26ClFN8O/c1-14-18(12-31(34,35)36)7-17-6-15(2-4-23(17)38-14)27-29(33)40-30(39-27)28-22-11-21(22)25-8-16(9-26(45)44(25)28)20-10-19(32)3-5-24(20)43-13-37-41-42-43;32-18-4-6-24(40-13-34-38-39-40)19(11-18)16-9-25-21-12-22(21)28(41(25)26(42)10-16)30-36-27(29(33)37-30)15-3-5-23-17(7-15)8-20(14-1-2-14)31(43)35-23;1-15-31(2,3)13-18-8-16(4-6-23(18)35-15)27-29(33)37-30(36-27)28-22-12-21(22)25-9-17(10-26(42)41(25)28)20-11-19(32)5-7-24(20)40-14-34-38-39-40/h2-6,8-10,13,18,21-22,28,38H,1,7,11-12H2,(H,39,40);3-7,9-11,13-14,20-22,28H,1-2,8,12H2,(H,35,43)(H,36,37);4-11,14,21-22,28,35H,1,12-13H2,2-3H3,(H,36,37)
InChIKeyKPFYSWNLMLJNTG-UHFFFAOYSA-N
MW1811.12 g/mol
LogP17.22
Rot. Bonds14

About 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-cyclopropyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,3-dimethyl-2-methylidene-1,4-dihydroquinolin-6-yl)-5-fluoro-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-methylidene-3-(2,2,2-trifluoroethyl)-3,4-dihydro-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-[4-(3-cyclopropyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,3-dimethyl-2-methylidene-1,4-dihydroquinolin-6-yl)-5-fluoro-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-methylidene-3-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinolin-6-yl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (PubChem CID 167607629) has the molecular formula C93H73Cl3F6N24O4 and a molecular weight of 1811.12 g/mol. Its IUPAC name is 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-cyclopropyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,3-dimethyl-2-methylidene-1,4-dihydroquinolin-6-yl)-5-fluoro-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-methylidene-3-(2,2,2-trifluoroethyl)-3,4-dihydro-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-[4-(3-cyclopropyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,3-dimethyl-2-methylidene-1,4-dihydroquinolin-6-yl)-5-fluoro-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-methylidene-3-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinolin-6-yl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
PubChem CID167607629
Molecular FormulaC93H73Cl3F6N24O4
Molecular Weight1811.12 g/mol
Exact Mass1808.52
IUPAC Name6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-cyclopropyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,3-dimethyl-2-methylidene-1,4-dihydroquinolin-6-yl)-5-fluoro-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-methylidene-3-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinolin-6-yl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESC=C1Nc2ccc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3F)cc2CC1(C)C.C=C1Nc2ccc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3F)cc2CC1CC(F)(F)F.O=C1Nc2ccc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3F)cc2CC1C1CC1
InChIInChI=1S/C31H23ClF4N8O.C31H24ClFN8O2.C31H26ClFN8O/c1-14-18(12-31(34,35)36)7-17-6-15(2-4-23(17)38-14)27-29(33)40-30(39-27)28-22-11-21(22)25-8-16(9-26(45)44(25)28)20-10-19(32)3-5-24(20)43-13-37-41-42-43;32-18-4-6-24(40-13-34-38-39-40)19(11-18)16-9-25-21-12-22(21)28(41(25)26(42)10-16)30-36-27(29(33)37-30)15-3-5-23-17(7-15)8-20(14-1-2-14)31(43)35-23;1-15-31(2,3)13-18-8-16(4-6-23(18)35-15)27-29(33)37-30(36-27)28-22-12-21(22)25-9-17(10-26(42)41(25)28)20-11-19(32)5-7-24(20)40-14-34-38-39-40/h2-6,8-10,13,18,21-22,28,38H,1,7,11-12H2,(H,39,40);3-7,9-11,13-14,20-22,28H,1-2,8,12H2,(H,35,43)(H,36,37);4-11,14,21-22,28,35H,1,12-13H2,2-3H3,(H,36,37)
InChIKeyKPFYSWNLMLJNTG-UHFFFAOYSA-N
XLogP17.22
TPSA336.00 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds14
Heavy Atoms130
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001811.12
LogP ≤ 517.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-cyclopropyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,3-dimethyl-2-methylidene-1,4-dihydroquinolin-6-yl)-5-fluoro-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-methylidene-3-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinolin-6-yl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-cyclopropyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,3-dimethyl-2-methylidene-1,4-dihydroquinolin-6-yl)-5-fluoro-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-methylidene-3-(2,2,2-trifluoroethyl)-3,4-dihydro-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-[4-(3-cyclopropyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,3-dimethyl-2-methylidene-1,4-dihydroquinolin-6-yl)-5-fluoro-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-methylidene-3-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinolin-6-yl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (CID 167607629) is 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-cyclopropyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,3-dimethyl-2-methylidene-1,4-dihydroquinolin-6-yl)-5-fluoro-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-methylidene-3-(2,2,2-trifluoroethyl)-3,4-dihydro-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-[4-(3-cyclopropyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,3-dimethyl-2-methylidene-1,4-dihydroquinolin-6-yl)-5-fluoro-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-methylidene-3-(2,2,2-trifluoroethyl)-3,4-dihydro-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-[4-(3-cyclopropyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,3-dimethyl-2-methylidene-1,4-dihydroquinolin-6-yl)-5-fluoro-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-methylidene-3-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinolin-6-yl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is C=C1Nc2ccc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3F)cc2CC1(C)C.C=C1Nc2ccc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3F)cc2CC1CC(F)(F)F.O=C1Nc2ccc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3F)cc2CC1C1CC1.
What is the InChIKey of 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-cyclopropyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,3-dimethyl-2-methylidene-1,4-dihydroquinolin-6-yl)-5-fluoro-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-methylidene-3-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinolin-6-yl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The InChIKey is KPFYSWNLMLJNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23ClF4N8O.C31H24ClFN8O2.C31H26ClFN8O/c1-14-18(12-31(34,35)36)7-17-6-15(2-4-23(17)38-14)27-29(33)40-30(39-27)28-22-11-21(22)25-8-16(9-26(45)44(25)28)20-10-19(32)3-5-24(20)43-13-37-41-42-43;32-18-4-6-24(40-13-34-38-39-40)19(11-18)16-9-25-21-12-22(21)28(41(25)26(42)10-16)30-36-27(29(33)37-30)15-3-5-23-17(7-15)8-20(14-1-2-14)31(43)35-23;1-15-31(2,3)13-18-8-16(4-6-23(18)35-15)27-29(33)37-30(36-27)28-22-12-21(22)25-9-17(10-26(42)41(25)28)20-11-19(32)5-7-24(20)40-14-34-38-39-40/h2-6,8-10,13,18,21-22,28,38H,1,7,11-12H2,(H,39,40);3-7,9-11,13-14,20-22,28H,1-2,8,12H2,(H,35,43)(H,36,37);4-11,14,21-22,28,35H,1,12-13H2,2-3H3,(H,36,37).
What are the key properties of 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-cyclopropyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,3-dimethyl-2-methylidene-1,4-dihydroquinolin-6-yl)-5-fluoro-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-methylidene-3-(2,2,2-trifluoroethyl)-3,4-dihydro-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-[4-(3-cyclopropyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,3-dimethyl-2-methylidene-1,4-dihydroquinolin-6-yl)-5-fluoro-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-methylidene-3-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinolin-6-yl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one has a molecular weight of 1811.12 g/mol, XLogP of 17.22, 14 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-cyclopropyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,3-dimethyl-2-methylidene-1,4-dihydroquinolin-6-yl)-5-fluoro-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-methylidene-3-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinolin-6-yl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is sourced from PubChem (CID 167607629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).