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

C178H133Cl7F3N39O11 — CID 167643773

IUPAC6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one
SMILESC=C1CCc2cc(C3=NC(F)=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc2C1.C=C1COc2cc(C3=C(F)N=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc2C1.C=C1COc2cc(C3=CN=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)ccc2C1.C=C1COc2cc(C3=CN=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc2C1.C=C1COc2cc(C3=NC(F)=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc2C1.C=C1COc2cc(C3=NC=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc2C1
InChIInChI=1S/C31H23Cl2N5O2.C31H24ClFN6O.2C29H21ClFN7O2.2C29H22ClN7O2/c1-16-6-18-3-2-17(9-28(18)40-15-16)20-7-25(34-13-20)31-24-12-23(24)27-8-19(10-30(39)38(27)31)22-11-21(32)4-5-26(22)37-14-29(33)35-36-37;1-16-2-3-18-9-19(5-4-17(18)8-16)26-14-25(31(33)35-26)30-24-13-23(24)28-10-20(11-29(40)39(28)30)22-12-21(32)6-7-27(22)38-15-34-36-37-38;1-14-6-16-3-2-15(7-25(16)40-12-14)18-10-23(33-28(18)31)27-19-9-20(19)29-34-22(11-26(39)38(27)29)21-8-17(30)4-5-24(21)37-13-32-35-36-37;1-14-6-16-3-2-15(7-25(16)40-12-14)22-10-21(28(31)33-22)27-18-9-19(18)29-34-23(11-26(39)38(27)29)20-8-17(30)4-5-24(20)37-13-32-35-36-37;1-15-6-17-3-2-16(8-26(17)39-13-15)23-7-18(12-31-23)28-20-10-21(20)29-33-24(11-27(38)37(28)29)22-9-19(30)4-5-25(22)36-14-32-34-35-36;1-15-6-17-3-2-16(8-26(17)39-13-15)18-7-24(31-12-18)28-20-10-21(20)29-33-23(11-27(38)37(28)29)22-9-19(30)4-5-25(22)36-14-32-34-35-36/h2-5,8-11,13-14,23-24,31H,1,6-7,12,15H2;4-7,9-12,15,23-24,30H,1-3,8,13-14H2;2-5,7-8,11,13,19-20,27H,1,6,9-10,12H2;2-5,7-8,11,13,18-19,27H,1,6,9-10,12H2;2*2-5,8-9,11-12,14,20-21,28H,1,6-7,10,13H2
InChIKeyPNWCLNMSUUNFHN-UHFFFAOYSA-N
MW3299.45 g/mol
LogP31.03
Rot. Bonds24

About 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(3-methylidene-4H-chromen-7-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-[4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one (PubChem CID 167643773) has the molecular formula C178H133Cl7F3N39O11 and a molecular weight of 3299.45 g/mol. Its IUPAC name is 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(3-methylidene-4H-chromen-7-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-[4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one
PubChem CID167643773
Molecular FormulaC178H133Cl7F3N39O11
Molecular Weight3299.45 g/mol
Exact Mass3293.88
IUPAC Name6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one
SMILESC=C1CCc2cc(C3=NC(F)=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc2C1.C=C1COc2cc(C3=C(F)N=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc2C1.C=C1COc2cc(C3=CN=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)ccc2C1.C=C1COc2cc(C3=CN=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc2C1.C=C1COc2cc(C3=NC(F)=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc2C1.C=C1COc2cc(C3=NC=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc2C1
InChIInChI=1S/C31H23Cl2N5O2.C31H24ClFN6O.2C29H21ClFN7O2.2C29H22ClN7O2/c1-16-6-18-3-2-17(9-28(18)40-15-16)20-7-25(34-13-20)31-24-12-23(24)27-8-19(10-30(39)38(27)31)22-11-21(32)4-5-26(22)37-14-29(33)35-36-37;1-16-2-3-18-9-19(5-4-17(18)8-16)26-14-25(31(33)35-26)30-24-13-23(24)28-10-20(11-29(40)39(28)30)22-12-21(32)6-7-27(22)38-15-34-36-37-38;1-14-6-16-3-2-15(7-25(16)40-12-14)18-10-23(33-28(18)31)27-19-9-20(19)29-34-22(11-26(39)38(27)29)21-8-17(30)4-5-24(21)37-13-32-35-36-37;1-14-6-16-3-2-15(7-25(16)40-12-14)22-10-21(28(31)33-22)27-18-9-19(18)29-34-23(11-26(39)38(27)29)20-8-17(30)4-5-24(20)37-13-32-35-36-37;1-15-6-17-3-2-16(8-26(17)39-13-15)23-7-18(12-31-23)28-20-10-21(20)29-33-24(11-27(38)37(28)29)22-9-19(30)4-5-25(22)36-14-32-34-35-36;1-15-6-17-3-2-16(8-26(17)39-13-15)18-7-24(31-12-18)28-20-10-21(20)29-33-23(11-27(38)37(28)29)22-9-19(30)4-5-25(22)36-14-32-34-35-36/h2-5,8-11,13-14,23-24,31H,1,6-7,12,15H2;4-7,9-12,15,23-24,30H,1-3,8,13-14H2;2-5,7-8,11,13,19-20,27H,1,6,9-10,12H2;2-5,7-8,11,13,18-19,27H,1,6,9-10,12H2;2*2-5,8-9,11-12,14,20-21,28H,1,6-7,10,13H2
InChIKeyPNWCLNMSUUNFHN-UHFFFAOYSA-N
XLogP31.03
TPSA552.58 Ų
H-Bond Donors
H-Bond Acceptors50
Rotatable Bonds24
Heavy Atoms238
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003299.45
LogP ≤ 531.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

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

Analyze 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(3-methylidene-4H-chromen-7-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-[4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(3-methylidene-4H-chromen-7-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-[4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one (CID 167643773) is 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(3-methylidene-4H-chromen-7-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-[4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(3-methylidene-4H-chromen-7-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-[4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one is C=C1CCc2cc(C3=NC(F)=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc2C1.C=C1COc2cc(C3=C(F)N=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc2C1.C=C1COc2cc(C3=CN=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)ccc2C1.C=C1COc2cc(C3=CN=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc2C1.C=C1COc2cc(C3=NC(F)=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc2C1.C=C1COc2cc(C3=NC=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc2C1.
What is the InChIKey of 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one?
The InChIKey is PNWCLNMSUUNFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23Cl2N5O2.C31H24ClFN6O.2C29H21ClFN7O2.2C29H22ClN7O2/c1-16-6-18-3-2-17(9-28(18)40-15-16)20-7-25(34-13-20)31-24-12-23(24)27-8-19(10-30(39)38(27)31)22-11-21(32)4-5-26(22)37-14-29(33)35-36-37;1-16-2-3-18-9-19(5-4-17(18)8-16)26-14-25(31(33)35-26)30-24-13-23(24)28-10-20(11-29(40)39(28)30)22-12-21(32)6-7-27(22)38-15-34-36-37-38;1-14-6-16-3-2-15(7-25(16)40-12-14)18-10-23(33-28(18)31)27-19-9-20(19)29-34-22(11-26(39)38(27)29)21-8-17(30)4-5-24(21)37-13-32-35-36-37;1-14-6-16-3-2-15(7-25(16)40-12-14)22-10-21(28(31)33-22)27-18-9-19(18)29-34-23(11-26(39)38(27)29)20-8-17(30)4-5-24(20)37-13-32-35-36-37;1-15-6-17-3-2-16(8-26(17)39-13-15)23-7-18(12-31-23)28-20-10-21(20)29-33-24(11-27(38)37(28)29)22-9-19(30)4-5-25(22)36-14-32-34-35-36;1-15-6-17-3-2-16(8-26(17)39-13-15)18-7-24(31-12-18)28-20-10-21(20)29-33-23(11-27(38)37(28)29)22-9-19(30)4-5-25(22)36-14-32-34-35-36/h2-5,8-11,13-14,23-24,31H,1,6-7,12,15H2;4-7,9-12,15,23-24,30H,1-3,8,13-14H2;2-5,7-8,11,13,19-20,27H,1,6,9-10,12H2;2-5,7-8,11,13,18-19,27H,1,6,9-10,12H2;2*2-5,8-9,11-12,14,20-21,28H,1,6-7,10,13H2.
What are the key properties of 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(3-methylidene-4H-chromen-7-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-[4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(3-methylidene-4H-chromen-7-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 3299.45 g/mol, XLogP of 31.03, 24 rotatable bonds, 0 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(3-methylidene-4H-chromen-7-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 167643773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).