2-[5-chloro-4-(8-hydroxy-6-methylidene-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(2-[5-chloro-4-(4-methylphenyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);2-[5-chloro-4-(3-oxo-1,2-dihydroisoindol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

C139H100Cl9FN32O7 — CID 167590084

About 2-[5-chloro-4-(8-hydroxy-6-methylidene-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(2-[5-chloro-4-(4-methylphenyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);2-[5-chloro-4-(3-oxo-1,2-dihydroisoindol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

2-[5-chloro-4-(8-hydroxy-6-methylidene-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(2-[5-chloro-4-(4-methylphenyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);2-[5-chloro-4-(3-oxo-1,2-dihydroisoindol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (PubChem CID 167590084) has the molecular formula C139H100Cl9FN32O7 and a molecular weight of 2668.62 g/mol. Its IUPAC name is 2-[5-chloro-4-(8-hydroxy-6-methylidene-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(2-[5-chloro-4-(4-methylphenyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);2-[5-chloro-4-(3-oxo-1,2-dihydroisoindol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.

Molecular Properties

• Compound Name: 2-[5-chloro-4-(8-hydroxy-6-methylidene-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(2-[5-chloro-4-(4-methylphenyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);2-[5-chloro-4-(3-oxo-1,2-dihydroisoindol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
• PubChem CID: 167590084
• Molecular Formula: C139H100Cl9FN32O7
• Molecular Weight: 2668.62 g/mol
• Exact Mass: 2662.56
• IUPAC Name: 2-[5-chloro-4-(8-hydroxy-6-methylidene-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(2-[5-chloro-4-(4-methylphenyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);2-[5-chloro-4-(3-oxo-1,2-dihydroisoindol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
• SMILES: C=C1C=C(O)c2cc(C3=C(Cl)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc2C1.Cc1ccc(C2=C(Cl)N=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)cc1.Cc1ccc(C2=C(Cl)N=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)cc1.Cc1ccc(C2=NC=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)n1.O=C1NCc2ccc(C3=C(Cl)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)cc21
• InChI: InChI=1S/C31H22Cl2N6O2.C28H19Cl2N7O2.2C27H20Cl2N6O.C26H19ClFN7O/c1-15-6-16-2-3-17(8-21(16)28(40)7-15)22-13-25(35-31(22)33)30-24-12-23(24)27-9-18(10-29(41)39(27)30)20-11-19(32)4-5-26(20)38-14-34-36-37-38;29-16-3-4-23(36-12-32-34-35-36)17(8-16)15-6-24-20-9-21(20)26(37(24)25(38)7-15)22-10-18(27(30)33-22)13-1-2-14-11-31-28(39)19(14)5-13;2*1-14-2-4-15(5-3-14)19-12-22(31-27(19)29)26-21-11-20(21)24-8-16(9-25(36)35(24)26)18-10-17(28)6-7-23(18)34-13-30-32-33-34;1-13-2-4-17(26(28)31-13)21-6-15(11-29-21)25-20-10-19(20)23-7-14(8-24(36)35(23)25)18-9-16(27)3-5-22(18)34-12-30-32-33-34/h2-5,7-11,14,23-24,30,40H,1,6,12-13H2;1-8,12,20-21,26H,9-11H2,(H,31,39);2*2-10,13,20-21,26H,11-12H2,1H3;2-5,7-9,11-12,19-20,25H,6,10H2,1H3
• InChIKey: IHXWKOIJVPQPSW-UHFFFAOYSA-N
• XLogP: 26.31
• TPSA: 452.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 38
• Rotatable Bonds: 20
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2668.62
LogP ≤ 5	26.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-4-(8-hydroxy-6-methylidene-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(2-[5-chloro-4-(4-methylphenyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);2-[5-chloro-4-(3-oxo-1,2-dihydroisoindol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?

The IUPAC name of 2-[5-chloro-4-(8-hydroxy-6-methylidene-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(2-[5-chloro-4-(4-methylphenyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);2-[5-chloro-4-(3-oxo-1,2-dihydroisoindol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (CID 167590084) is 2-[5-chloro-4-(8-hydroxy-6-methylidene-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(2-[5-chloro-4-(4-methylphenyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);2-[5-chloro-4-(3-oxo-1,2-dihydroisoindol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.

What is the SMILES notation for 2-[5-chloro-4-(8-hydroxy-6-methylidene-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(2-[5-chloro-4-(4-methylphenyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);2-[5-chloro-4-(3-oxo-1,2-dihydroisoindol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?

The canonical SMILES for 2-[5-chloro-4-(8-hydroxy-6-methylidene-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(2-[5-chloro-4-(4-methylphenyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);2-[5-chloro-4-(3-oxo-1,2-dihydroisoindol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is C=C1C=C(O)c2cc(C3=C(Cl)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc2C1.Cc1ccc(C2=C(Cl)N=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)cc1.Cc1ccc(C2=C(Cl)N=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)cc1.Cc1ccc(C2=NC=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)n1.O=C1NCc2ccc(C3=C(Cl)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)cc21.

What is the InChIKey of 2-[5-chloro-4-(8-hydroxy-6-methylidene-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(2-[5-chloro-4-(4-methylphenyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);2-[5-chloro-4-(3-oxo-1,2-dihydroisoindol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?

The InChIKey is IHXWKOIJVPQPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22Cl2N6O2.C28H19Cl2N7O2.2C27H20Cl2N6O.C26H19ClFN7O/c1-15-6-16-2-3-17(8-21(16)28(40)7-15)22-13-25(35-31(22)33)30-24-12-23(24)27-9-18(10-29(41)39(27)30)20-11-19(32)4-5-26(20)38-14-34-36-37-38;29-16-3-4-23(36-12-32-34-35-36)17(8-16)15-6-24-20-9-21(20)26(37(24)25(38)7-15)22-10-18(27(30)33-22)13-1-2-14-11-31-28(39)19(14)5-13;2*1-14-2-4-15(5-3-14)19-12-22(31-27(19)29)26-21-11-20(21)24-8-16(9-25(36)35(24)26)18-10-17(28)6-7-23(18)34-13-30-32-33-34;1-13-2-4-17(26(28)31-13)21-6-15(11-29-21)25-20-10-19(20)23-7-14(8-24(36)35(23)25)18-9-16(27)3-5-22(18)34-12-30-32-33-34/h2-5,7-11,14,23-24,30,40H,1,6,12-13H2;1-8,12,20-21,26H,9-11H2,(H,31,39);2*2-10,13,20-21,26H,11-12H2,1H3;2-5,7-9,11-12,19-20,25H,6,10H2,1H3.

What are the key properties of 2-[5-chloro-4-(8-hydroxy-6-methylidene-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(2-[5-chloro-4-(4-methylphenyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);2-[5-chloro-4-(3-oxo-1,2-dihydroisoindol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?

2-[5-chloro-4-(8-hydroxy-6-methylidene-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(2-[5-chloro-4-(4-methylphenyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);2-[5-chloro-4-(3-oxo-1,2-dihydroisoindol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one has a molecular weight of 2668.62 g/mol, XLogP of 26.31, 20 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-chloro-4-(8-hydroxy-6-methylidene-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;bis(2-[5-chloro-4-(4-methylphenyl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one);2-[5-chloro-4-(3-oxo-1,2-dihydroisoindol-5-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is sourced from PubChem (CID 167590084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).