6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-fluoro-2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one

C141H98Cl10F3N39O5 — CID 167567429

IUPAC6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-fluoro-2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one
SMILESCc1[nH]nc2cc(C3=C(F)N=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)ccc12.Cc1[nH]nc2cc(C3=CN=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)ccc12.Cc1[nH]nc2cc(C3=NC(F)=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)ccc12.Cc1[nH]nc2cc(C3=NC(F)=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)ccc12.Cc1[nH]nc2cc(C3=NC=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)ccc12
InChIInChI=1S/C29H20Cl2FN7O.2C28H19Cl2FN8O.2C28H20Cl2N8O/c1-13-17-4-2-14(6-23(17)35-34-13)22-11-21(29(32)33-22)28-20-10-19(20)25-7-15(8-27(40)39(25)28)18-9-16(30)3-5-24(18)38-12-26(31)36-37-38;1-12-15-4-2-13(6-21(15)35-34-12)16-9-22(32-27(16)31)26-17-8-18(17)28-33-20(10-25(40)39(26)28)19-7-14(29)3-5-23(19)38-11-24(30)36-37-38;1-12-15-4-2-13(6-22(15)35-34-12)20-9-19(27(31)32-20)26-16-8-17(16)28-33-21(10-25(40)39(26)28)18-7-14(29)3-5-23(18)38-11-24(30)36-37-38;1-13-17-4-2-14(6-23(17)34-33-13)21-7-15(11-31-21)27-18-9-19(18)28-32-22(10-26(39)38(27)28)20-8-16(29)3-5-24(20)37-12-25(30)35-36-37;1-13-17-4-2-14(6-22(17)34-33-13)15-7-23(31-11-15)27-18-9-19(18)28-32-21(10-26(39)38(27)28)20-8-16(29)3-5-24(20)37-12-25(30)35-36-37/h2-9,12,19-20,28H,10-11H2,1H3,(H,34,35);2-7,10-11,17-18,26H,8-9H2,1H3,(H,34,35);2-7,10-11,16-17,26H,8-9H2,1H3,(H,34,35);2*2-6,8,10-12,18-19,27H,7,9H2,1H3,(H,33,34)
InChIKeyFLSRKIXYFYIIIA-UHFFFAOYSA-N
MW2830.13 g/mol
LogP28.80
Rot. Bonds20

About 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-fluoro-2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one

6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-fluoro-2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one (PubChem CID 167567429) has the molecular formula C141H98Cl10F3N39O5 and a molecular weight of 2830.13 g/mol. Its IUPAC name is 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-fluoro-2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one.

Molecular Properties

Compound Name6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-fluoro-2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one
PubChem CID167567429
Molecular FormulaC141H98Cl10F3N39O5
Molecular Weight2830.13 g/mol
Exact Mass2823.55
IUPAC Name6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-fluoro-2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one
SMILESCc1[nH]nc2cc(C3=C(F)N=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)ccc12.Cc1[nH]nc2cc(C3=CN=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)ccc12.Cc1[nH]nc2cc(C3=NC(F)=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)ccc12.Cc1[nH]nc2cc(C3=NC(F)=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)ccc12.Cc1[nH]nc2cc(C3=NC=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)ccc12
InChIInChI=1S/C29H20Cl2FN7O.2C28H19Cl2FN8O.2C28H20Cl2N8O/c1-13-17-4-2-14(6-23(17)35-34-13)22-11-21(29(32)33-22)28-20-10-19(20)25-7-15(8-27(40)39(25)28)18-9-16(30)3-5-24(18)38-12-26(31)36-37-38;1-12-15-4-2-13(6-21(15)35-34-12)16-9-22(32-27(16)31)26-17-8-18(17)28-33-20(10-25(40)39(26)28)19-7-14(29)3-5-23(19)38-11-24(30)36-37-38;1-12-15-4-2-13(6-22(15)35-34-12)20-9-19(27(31)32-20)26-16-8-17(16)28-33-21(10-25(40)39(26)28)18-7-14(29)3-5-23(18)38-11-24(30)36-37-38;1-13-17-4-2-14(6-23(17)34-33-13)21-7-15(11-31-21)27-18-9-19(18)28-32-22(10-26(39)38(27)28)20-8-16(29)3-5-24(20)37-12-25(30)35-36-37;1-13-17-4-2-14(6-22(17)34-33-13)15-7-23(31-11-15)27-18-9-19(18)28-32-21(10-26(39)38(27)28)20-8-16(29)3-5-24(20)37-12-25(30)35-36-37/h2-9,12,19-20,28H,10-11H2,1H3,(H,34,35);2-7,10-11,17-18,26H,8-9H2,1H3,(H,34,35);2-7,10-11,16-17,26H,8-9H2,1H3,(H,34,35);2*2-6,8,10-12,18-19,27H,7,9H2,1H3,(H,33,34)
InChIKeyFLSRKIXYFYIIIA-UHFFFAOYSA-N
XLogP28.80
TPSA520.31 Ų
H-Bond Donors5
H-Bond Acceptors39
Rotatable Bonds20
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002830.13
LogP ≤ 528.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-fluoro-2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-fluoro-2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one?
The IUPAC name of 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-fluoro-2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one (CID 167567429) is 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-fluoro-2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one.
What is the SMILES notation for 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-fluoro-2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one?
The canonical SMILES for 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-fluoro-2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one is Cc1[nH]nc2cc(C3=C(F)N=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)ccc12.Cc1[nH]nc2cc(C3=CN=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)ccc12.Cc1[nH]nc2cc(C3=NC(F)=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)ccc12.Cc1[nH]nc2cc(C3=NC(F)=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)ccc12.Cc1[nH]nc2cc(C3=NC=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)ccc12.
What is the InChIKey of 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-fluoro-2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one?
The InChIKey is FLSRKIXYFYIIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20Cl2FN7O.2C28H19Cl2FN8O.2C28H20Cl2N8O/c1-13-17-4-2-14(6-23(17)35-34-13)22-11-21(29(32)33-22)28-20-10-19(20)25-7-15(8-27(40)39(25)28)18-9-16(30)3-5-24(18)38-12-26(31)36-37-38;1-12-15-4-2-13(6-21(15)35-34-12)16-9-22(32-27(16)31)26-17-8-18(17)28-33-20(10-25(40)39(26)28)19-7-14(29)3-5-23(19)38-11-24(30)36-37-38;1-12-15-4-2-13(6-22(15)35-34-12)20-9-19(27(31)32-20)26-16-8-17(16)28-33-21(10-25(40)39(26)28)18-7-14(29)3-5-23(18)38-11-24(30)36-37-38;1-13-17-4-2-14(6-23(17)34-33-13)21-7-15(11-31-21)27-18-9-19(18)28-32-22(10-26(39)38(27)28)20-8-16(29)3-5-24(20)37-12-25(30)35-36-37;1-13-17-4-2-14(6-22(17)34-33-13)15-7-23(31-11-15)27-18-9-19(18)28-32-21(10-26(39)38(27)28)20-8-16(29)3-5-24(20)37-12-25(30)35-36-37/h2-9,12,19-20,28H,10-11H2,1H3,(H,34,35);2-7,10-11,17-18,26H,8-9H2,1H3,(H,34,35);2-7,10-11,16-17,26H,8-9H2,1H3,(H,34,35);2*2-6,8,10-12,18-19,27H,7,9H2,1H3,(H,33,34).
What are the key properties of 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-fluoro-2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one?
6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-fluoro-2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one has a molecular weight of 2830.13 g/mol, XLogP of 28.80, 20 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-fluoro-2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[2-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one is sourced from PubChem (CID 167567429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).