methyl 3-[4-(1-methoxycarbonyl-5-methylindol-3-yl)-1-methylpyrrol-3-yl]-5-methylindole-1-carboxylate;5-methyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]-1H-indole;methyl 5-methyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]indole-1-carboxylate

C75H69N9O6 — CID 158436624

IUPACmethyl 3-[4-(1-methoxycarbonyl-5-methylindol-3-yl)-1-methylpyrrol-3-yl]-5-methylindole-1-carboxylate;5-methyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]-1H-indole;methyl 5-methyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]indole-1-carboxylate
SMILESCOC(=O)n1cc(-c2cn(C)cc2-c2c[nH]c3ccc(C)cc23)c2cc(C)ccc21.COC(=O)n1cc(-c2cn(C)cc2-c2cn(C(=O)OC)c3ccc(C)cc23)c2cc(C)ccc21.Cc1ccc2[nH]cc(-c3cn(C)cc3-c3c[nH]c4ccc(C)cc34)c2c1
InChIInChI=1S/C27H25N3O4.C25H23N3O2.C23H21N3/c1-16-6-8-24-18(10-16)22(14-29(24)26(31)33-4)20-12-28(3)13-21(20)23-15-30(27(32)34-5)25-9-7-17(2)11-19(23)25;1-15-5-7-23-17(9-15)19(11-26-23)20-12-27(3)13-21(20)22-14-28(25(29)30-4)24-8-6-16(2)10-18(22)24;1-14-4-6-22-16(8-14)18(10-24-22)20-12-26(3)13-21(20)19-11-25-23-7-5-15(2)9-17(19)23/h6-15H,1-5H3;5-14,26H,1-4H3;4-13,24-25H,1-3H3
InChIKeyHCHPPSPZIDOKAK-UHFFFAOYSA-N
MW1192.43 g/mol
LogP18.08
Rot. Bonds6

About methyl 3-[4-(1-methoxycarbonyl-5-methylindol-3-yl)-1-methylpyrrol-3-yl]-5-methylindole-1-carboxylate;5-methyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]-1H-indole;methyl 5-methyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]indole-1-carboxylate

methyl 3-[4-(1-methoxycarbonyl-5-methylindol-3-yl)-1-methylpyrrol-3-yl]-5-methylindole-1-carboxylate;5-methyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]-1H-indole;methyl 5-methyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]indole-1-carboxylate (PubChem CID 158436624) has the molecular formula C75H69N9O6 and a molecular weight of 1192.43 g/mol. Its IUPAC name is methyl 3-[4-(1-methoxycarbonyl-5-methylindol-3-yl)-1-methylpyrrol-3-yl]-5-methylindole-1-carboxylate;5-methyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]-1H-indole;methyl 5-methyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]indole-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[4-(1-methoxycarbonyl-5-methylindol-3-yl)-1-methylpyrrol-3-yl]-5-methylindole-1-carboxylate;5-methyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]-1H-indole;methyl 5-methyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]indole-1-carboxylate
PubChem CID158436624
Molecular FormulaC75H69N9O6
Molecular Weight1192.43 g/mol
Exact Mass1191.54
IUPAC Namemethyl 3-[4-(1-methoxycarbonyl-5-methylindol-3-yl)-1-methylpyrrol-3-yl]-5-methylindole-1-carboxylate;5-methyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]-1H-indole;methyl 5-methyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]indole-1-carboxylate
SMILESCOC(=O)n1cc(-c2cn(C)cc2-c2c[nH]c3ccc(C)cc23)c2cc(C)ccc21.COC(=O)n1cc(-c2cn(C)cc2-c2cn(C(=O)OC)c3ccc(C)cc23)c2cc(C)ccc21.Cc1ccc2[nH]cc(-c3cn(C)cc3-c3c[nH]c4ccc(C)cc34)c2c1
InChIInChI=1S/C27H25N3O4.C25H23N3O2.C23H21N3/c1-16-6-8-24-18(10-16)22(14-29(24)26(31)33-4)20-12-28(3)13-21(20)23-15-30(27(32)34-5)25-9-7-17(2)11-19(23)25;1-15-5-7-23-17(9-15)19(11-26-23)20-12-27(3)13-21(20)22-14-28(25(29)30-4)24-8-6-16(2)10-18(22)24;1-14-4-6-22-16(8-14)18(10-24-22)20-12-26(3)13-21(20)19-11-25-23-7-5-15(2)9-17(19)23/h6-15H,1-5H3;5-14,26H,1-4H3;4-13,24-25H,1-3H3
InChIKeyHCHPPSPZIDOKAK-UHFFFAOYSA-N
XLogP18.08
TPSA155.85 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001192.43
LogP ≤ 518.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze methyl 3-[4-(1-methoxycarbonyl-5-methylindol-3-yl)-1-methylpyrrol-3-yl]-5-methylindole-1-carboxylate;5-methyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]-1H-indole;methyl 5-methyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]indole-1-carboxylate with MolForge

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Related Compounds

1,4-Bis(di(1h-indol-3-yl)methyl)benzene
CID 15637613
Tryptophyl-arginyl-tryptophyl-tryptophyl-tryptophyl-tryptophanamide
CID 49768327
Ilpwkwpwwpwpp-NH2
CID 16197752
Lpwkwpwwpwpp-NH2
CID 16197753
Ilpwkwpwwpwp-NH2
CID 16197754
Ilawkwawwawpp-NH2
CID 16197757
(Ilpwkwpwwpwpp)2K-NH2
CID 44395610
H-D-aIle-D-Leu-D-Pro-D-Trp-D-Lys-D-Trp-D-Pro-D-Trp-D-Trp-D-Pro-D-Trp-D-Pro-D-Pro-DL-Lys(1)-NH2.H-D-aIle-D-Leu-D-Pro-D-Trp-D-Lys-D-Trp-D-Pro-D-Trp-D-Trp-D-Pro-D-Trp-D-Pro-D-Pro-(1)
CID 44395611
3-[[4-[bis(5-cyano-1H-indol-3-yl)methyl]phenyl]-(5-cyano-1H-indol-3-yl)methyl]-1H-indole-5-carbonitrile
CID 57326787
H-Lys-Trp-Trp-Lys-Lys-Trp-Lys-Lys-Trp-Trp-NH2
CID 164622047
Ilpwgwpwwpwpp-NH2
CID 16197755
3-[[3-[bis(1H-indol-3-yl)methyl]phenyl]-(1H-indol-3-yl)methyl]-1H-indole
CID 57326685

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(1-methoxycarbonyl-5-methylindol-3-yl)-1-methylpyrrol-3-yl]-5-methylindole-1-carboxylate;5-methyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]-1H-indole;methyl 5-methyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]indole-1-carboxylate?
The IUPAC name of methyl 3-[4-(1-methoxycarbonyl-5-methylindol-3-yl)-1-methylpyrrol-3-yl]-5-methylindole-1-carboxylate;5-methyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]-1H-indole;methyl 5-methyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]indole-1-carboxylate (CID 158436624) is methyl 3-[4-(1-methoxycarbonyl-5-methylindol-3-yl)-1-methylpyrrol-3-yl]-5-methylindole-1-carboxylate;5-methyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]-1H-indole;methyl 5-methyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]indole-1-carboxylate.
What is the SMILES notation for methyl 3-[4-(1-methoxycarbonyl-5-methylindol-3-yl)-1-methylpyrrol-3-yl]-5-methylindole-1-carboxylate;5-methyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]-1H-indole;methyl 5-methyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]indole-1-carboxylate?
The canonical SMILES for methyl 3-[4-(1-methoxycarbonyl-5-methylindol-3-yl)-1-methylpyrrol-3-yl]-5-methylindole-1-carboxylate;5-methyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]-1H-indole;methyl 5-methyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]indole-1-carboxylate is COC(=O)n1cc(-c2cn(C)cc2-c2c[nH]c3ccc(C)cc23)c2cc(C)ccc21.COC(=O)n1cc(-c2cn(C)cc2-c2cn(C(=O)OC)c3ccc(C)cc23)c2cc(C)ccc21.Cc1ccc2[nH]cc(-c3cn(C)cc3-c3c[nH]c4ccc(C)cc34)c2c1.
What is the InChIKey of methyl 3-[4-(1-methoxycarbonyl-5-methylindol-3-yl)-1-methylpyrrol-3-yl]-5-methylindole-1-carboxylate;5-methyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]-1H-indole;methyl 5-methyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]indole-1-carboxylate?
The InChIKey is HCHPPSPZIDOKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4.C25H23N3O2.C23H21N3/c1-16-6-8-24-18(10-16)22(14-29(24)26(31)33-4)20-12-28(3)13-21(20)23-15-30(27(32)34-5)25-9-7-17(2)11-19(23)25;1-15-5-7-23-17(9-15)19(11-26-23)20-12-27(3)13-21(20)22-14-28(25(29)30-4)24-8-6-16(2)10-18(22)24;1-14-4-6-22-16(8-14)18(10-24-22)20-12-26(3)13-21(20)19-11-25-23-7-5-15(2)9-17(19)23/h6-15H,1-5H3;5-14,26H,1-4H3;4-13,24-25H,1-3H3.
What are the key properties of methyl 3-[4-(1-methoxycarbonyl-5-methylindol-3-yl)-1-methylpyrrol-3-yl]-5-methylindole-1-carboxylate;5-methyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]-1H-indole;methyl 5-methyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]indole-1-carboxylate?
methyl 3-[4-(1-methoxycarbonyl-5-methylindol-3-yl)-1-methylpyrrol-3-yl]-5-methylindole-1-carboxylate;5-methyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]-1H-indole;methyl 5-methyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]indole-1-carboxylate has a molecular weight of 1192.43 g/mol, XLogP of 18.08, 6 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(1-methoxycarbonyl-5-methylindol-3-yl)-1-methylpyrrol-3-yl]-5-methylindole-1-carboxylate;5-methyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]-1H-indole;methyl 5-methyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]indole-1-carboxylate is sourced from PubChem (CID 158436624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).