bis(6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidenespiro[4H-chromene-2,1'-cyclopropane]-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one)

C156H107Cl5F14N34O6 — CID 167635563

About bis(6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidenespiro[4H-chromene-2,1'-cyclopropane]-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one)

bis(6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidenespiro[4H-chromene-2,1'-cyclopropane]-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one) (PubChem CID 167635563) has the molecular formula C156H107Cl5F14N34O6 and a molecular weight of 2997.04 g/mol. Its IUPAC name is bis(6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidenespiro[4H-chromene-2,1'-cyclopropane]-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one).

Molecular Properties

• Compound Name: bis(6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidenespiro[4H-chromene-2,1'-cyclopropane]-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one)
• PubChem CID: 167635563
• Molecular Formula: C156H107Cl5F14N34O6
• Molecular Weight: 2997.04 g/mol
• Exact Mass: 2992.73
• IUPAC Name: bis(6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidenespiro[4H-chromene-2,1'-cyclopropane]-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one)
• SMILES: C=C1Cc2ccc(C3=C(F)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)cc2N=C1C(F)(F)F.C=C1Cc2ccc(C3=C(F)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)cc2N=C1C(F)(F)F.C=C1Cc2ccc(C3=CN=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)cc2N=C1C(F)(F)F.C=C1Cc2ccc(C3=CN=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)cc2N=C1C(F)(F)F.C=C1Cc2ccc(C3=CN=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)cc2OC12CC2
• InChI: InChI=1S/C32H25ClN6O2.2C31H20ClF4N7O.2C31H21ClF3N7O/c1-17-8-19-3-2-18(11-29(19)41-32(17)6-7-32)21-9-26(34-15-21)31-25-14-24(25)28-10-20(12-30(40)39(28)31)23-13-22(33)4-5-27(23)38-16-35-36-37-38;2*1-14-6-16-3-2-15(7-23(16)38-29(14)31(34,35)36)20-12-24(39-30(20)33)28-22-11-21(22)26-8-17(9-27(44)43(26)28)19-10-18(32)4-5-25(19)42-13-37-40-41-42;2*1-15-6-17-3-2-16(7-24(17)38-30(15)31(33,34)35)19-8-25(36-13-19)29-23-12-22(23)27-9-18(10-28(43)42(27)29)21-11-20(32)4-5-26(21)41-14-37-39-40-41/h2-5,10-13,15-16,24-25,31H,1,6-9,14H2;2*2-5,7-10,13,21-22,28H,1,6,11-12H2;2*2-5,7,9-11,13-14,22-23,29H,1,6,8,12H2
• InChIKey: OKTHAJGXEYPLNH-UHFFFAOYSA-N
• XLogP: 32.05
• TPSA: 448.47 Ų
• H-Bond Acceptors: 40
• Rotatable Bonds: 20
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2997.04
LogP ≤ 5	32.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidenespiro[4H-chromene-2,1'-cyclopropane]-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one)?

The IUPAC name of bis(6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidenespiro[4H-chromene-2,1'-cyclopropane]-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one) (CID 167635563) is bis(6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidenespiro[4H-chromene-2,1'-cyclopropane]-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one).

What is the SMILES notation for bis(6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidenespiro[4H-chromene-2,1'-cyclopropane]-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one)?

The canonical SMILES for bis(6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidenespiro[4H-chromene-2,1'-cyclopropane]-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one) is C=C1Cc2ccc(C3=C(F)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)cc2N=C1C(F)(F)F.C=C1Cc2ccc(C3=C(F)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)cc2N=C1C(F)(F)F.C=C1Cc2ccc(C3=CN=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)cc2N=C1C(F)(F)F.C=C1Cc2ccc(C3=CN=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)cc2N=C1C(F)(F)F.C=C1Cc2ccc(C3=CN=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)cc2OC12CC2.

What is the InChIKey of bis(6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidenespiro[4H-chromene-2,1'-cyclopropane]-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one)?

The InChIKey is OKTHAJGXEYPLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25ClN6O2.2C31H20ClF4N7O.2C31H21ClF3N7O/c1-17-8-19-3-2-18(11-29(19)41-32(17)6-7-32)21-9-26(34-15-21)31-25-14-24(25)28-10-20(12-30(40)39(28)31)23-13-22(33)4-5-27(23)38-16-35-36-37-38;2*1-14-6-16-3-2-15(7-23(16)38-29(14)31(34,35)36)20-12-24(39-30(20)33)28-22-11-21(22)26-8-17(9-27(44)43(26)28)19-10-18(32)4-5-25(19)42-13-37-40-41-42;2*1-15-6-17-3-2-16(7-24(17)38-30(15)31(33,34)35)19-8-25(36-13-19)29-23-12-22(23)27-9-18(10-28(43)42(27)29)21-11-20(32)4-5-26(21)41-14-37-39-40-41/h2-5,10-13,15-16,24-25,31H,1,6-9,14H2;2*2-5,7-10,13,21-22,28H,1,6,11-12H2;2*2-5,7,9-11,13-14,22-23,29H,1,6,8,12H2.

What are the key properties of bis(6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidenespiro[4H-chromene-2,1'-cyclopropane]-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one)?

bis(6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidenespiro[4H-chromene-2,1'-cyclopropane]-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one) has a molecular weight of 2997.04 g/mol, XLogP of 32.05, 20 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for bis(6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidenespiro[4H-chromene-2,1'-cyclopropane]-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one) is sourced from PubChem (CID 167635563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).