3-(5-amino-2-chloro-4-methylphenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;bis(3-(2-chloro-4-methyl-5-nitrophenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid);4-[3-ethyl-4-(1H-indol-4-yl)-5-methyl-1H-pyrrol-2-yl]-5-methyl-1H-indole;5-(1H-indol-4-yl)-3-(5-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid

C118H108Cl3N15O12 — CID 164948496

IUPAC3-(5-amino-2-chloro-4-methylphenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;bis(3-(2-chloro-4-methyl-5-nitrophenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid);4-[3-ethyl-4-(1H-indol-4-yl)-5-methyl-1H-pyrrol-2-yl]-5-methyl-1H-indole;5-(1H-indol-4-yl)-3-(5-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
SMILESCCc1c(-c2c(C)ccc3[nH]ccc23)[nH]c(C)c1-c1cccc2[nH]ccc12.Cc1cc(Cl)c(-c2c(C(=O)O)[nH]c(-c3cccc4[nH]ccc34)c2C(C)C)cc1N.Cc1cc(Cl)c(-c2c(C(=O)O)[nH]c(-c3cccc4[nH]ccc34)c2C(C)C)cc1[N+](=O)[O-].Cc1cc(Cl)c(-c2c(C(=O)O)[nH]c(-c3cccc4[nH]ccc34)c2C(C)C)cc1[N+](=O)[O-].Cc1ccc2[nH]ccc2c1-c1c(C(=O)O)[nH]c(-c2cccc3[nH]ccc23)c1C(C)C
InChIInChI=1S/C25H23N3O2.C24H23N3.2C23H20ClN3O4.C23H22ClN3O2/c1-13(2)20-22(21-14(3)7-8-19-17(21)10-12-27-19)24(25(29)30)28-23(20)16-5-4-6-18-15(16)9-11-26-18;1-4-16-23(18-6-5-7-20-17(18)10-12-25-20)15(3)27-24(16)22-14(2)8-9-21-19(22)11-13-26-21;2*1-11(2)19-20(15-10-18(27(30)31)12(3)9-16(15)24)22(23(28)29)26-21(19)14-5-4-6-17-13(14)7-8-25-17;1-11(2)19-20(15-10-17(25)12(3)9-16(15)24)22(23(28)29)27-21(19)14-5-4-6-18-13(14)7-8-26-18/h4-13,26-28H,1-3H3,(H,29,30);5-13,25-27H,4H2,1-3H3;2*4-11,25-26H,1-3H3,(H,28,29);4-11,26-27H,25H2,1-3H3,(H,28,29)
InChIKeyAEWUSXMYQDDELQ-UHFFFAOYSA-N
MW2034.61 g/mol
LogP32.17
Rot. Bonds21

About 3-(5-amino-2-chloro-4-methylphenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;bis(3-(2-chloro-4-methyl-5-nitrophenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid);4-[3-ethyl-4-(1H-indol-4-yl)-5-methyl-1H-pyrrol-2-yl]-5-methyl-1H-indole;5-(1H-indol-4-yl)-3-(5-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid

3-(5-amino-2-chloro-4-methylphenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;bis(3-(2-chloro-4-methyl-5-nitrophenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid);4-[3-ethyl-4-(1H-indol-4-yl)-5-methyl-1H-pyrrol-2-yl]-5-methyl-1H-indole;5-(1H-indol-4-yl)-3-(5-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid (PubChem CID 164948496) has the molecular formula C118H108Cl3N15O12 and a molecular weight of 2034.61 g/mol. Its IUPAC name is 3-(5-amino-2-chloro-4-methylphenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;bis(3-(2-chloro-4-methyl-5-nitrophenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid);4-[3-ethyl-4-(1H-indol-4-yl)-5-methyl-1H-pyrrol-2-yl]-5-methyl-1H-indole;5-(1H-indol-4-yl)-3-(5-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-(5-amino-2-chloro-4-methylphenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;bis(3-(2-chloro-4-methyl-5-nitrophenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid);4-[3-ethyl-4-(1H-indol-4-yl)-5-methyl-1H-pyrrol-2-yl]-5-methyl-1H-indole;5-(1H-indol-4-yl)-3-(5-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
PubChem CID164948496
Molecular FormulaC118H108Cl3N15O12
Molecular Weight2034.61 g/mol
Exact Mass2031.74
IUPAC Name3-(5-amino-2-chloro-4-methylphenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;bis(3-(2-chloro-4-methyl-5-nitrophenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid);4-[3-ethyl-4-(1H-indol-4-yl)-5-methyl-1H-pyrrol-2-yl]-5-methyl-1H-indole;5-(1H-indol-4-yl)-3-(5-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
SMILESCCc1c(-c2c(C)ccc3[nH]ccc23)[nH]c(C)c1-c1cccc2[nH]ccc12.Cc1cc(Cl)c(-c2c(C(=O)O)[nH]c(-c3cccc4[nH]ccc34)c2C(C)C)cc1N.Cc1cc(Cl)c(-c2c(C(=O)O)[nH]c(-c3cccc4[nH]ccc34)c2C(C)C)cc1[N+](=O)[O-].Cc1cc(Cl)c(-c2c(C(=O)O)[nH]c(-c3cccc4[nH]ccc34)c2C(C)C)cc1[N+](=O)[O-].Cc1ccc2[nH]ccc2c1-c1c(C(=O)O)[nH]c(-c2cccc3[nH]ccc23)c1C(C)C
InChIInChI=1S/C25H23N3O2.C24H23N3.2C23H20ClN3O4.C23H22ClN3O2/c1-13(2)20-22(21-14(3)7-8-19-17(21)10-12-27-19)24(25(29)30)28-23(20)16-5-4-6-18-15(16)9-11-26-18;1-4-16-23(18-6-5-7-20-17(18)10-12-25-20)15(3)27-24(16)22-14(2)8-9-21-19(22)11-13-26-21;2*1-11(2)19-20(15-10-18(27(30)31)12(3)9-16(15)24)22(23(28)29)26-21(19)14-5-4-6-17-13(14)7-8-25-17;1-11(2)19-20(15-10-17(25)12(3)9-16(15)24)22(23(28)29)27-21(19)14-5-4-6-18-13(14)7-8-26-18/h4-13,26-28H,1-3H3,(H,29,30);5-13,25-27H,4H2,1-3H3;2*4-11,25-26H,1-3H3,(H,28,29);4-11,26-27H,25H2,1-3H3,(H,28,29)
InChIKeyAEWUSXMYQDDELQ-UHFFFAOYSA-N
XLogP32.17
TPSA450.98 Ų
H-Bond Donors17
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002034.61
LogP ≤ 532.17
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(5-amino-2-chloro-4-methylphenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;bis(3-(2-chloro-4-methyl-5-nitrophenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid);4-[3-ethyl-4-(1H-indol-4-yl)-5-methyl-1H-pyrrol-2-yl]-5-methyl-1H-indole;5-(1H-indol-4-yl)-3-(5-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid with MolForge

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Related Compounds

CID 146315785
CID 146315785
3-(5-chloro-1H-indol-4-yl)-5-(1H-indol-6-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 146315775
3-(5-chloro-1H-indol-4-yl)-5-(5-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 146350057
3-(5-chloro-1H-indol-4-yl)-4-ethyl-5-(5-methyl-1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid
CID 146350061
4-[5-carboxy-4-(5-chloro-1H-indol-4-yl)-3-propan-2-yl-1H-pyrrol-2-yl]-1H-indole-2-carboxylic acid
CID 146350066
3-(5-chloro-1H-indol-4-yl)-5-(1-ethylindol-5-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 146350081
3-(5-chloro-1H-indol-4-yl)-4-propan-2-yl-5-[6-(trifluoromethyl)-1H-indol-4-yl]-1H-pyrrole-2-carboxylic acid
CID 146350211
3-(5-chloro-1H-indol-4-yl)-5-(3-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 146350216
3-(5-chloro-1H-indol-4-yl)-5-(1H-indol-5-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 146350234
3-(5-chloro-1H-indol-4-yl)-5-(6-chloro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 146350237
3-(5-chloro-1H-indol-4-yl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid
CID 146350355
3-(5-chloro-1H-indol-4-yl)-5-[2-(hydroxymethyl)-1H-indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 146350367

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-chloro-4-methylphenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;bis(3-(2-chloro-4-methyl-5-nitrophenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid);4-[3-ethyl-4-(1H-indol-4-yl)-5-methyl-1H-pyrrol-2-yl]-5-methyl-1H-indole;5-(1H-indol-4-yl)-3-(5-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 3-(5-amino-2-chloro-4-methylphenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;bis(3-(2-chloro-4-methyl-5-nitrophenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid);4-[3-ethyl-4-(1H-indol-4-yl)-5-methyl-1H-pyrrol-2-yl]-5-methyl-1H-indole;5-(1H-indol-4-yl)-3-(5-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid (CID 164948496) is 3-(5-amino-2-chloro-4-methylphenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;bis(3-(2-chloro-4-methyl-5-nitrophenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid);4-[3-ethyl-4-(1H-indol-4-yl)-5-methyl-1H-pyrrol-2-yl]-5-methyl-1H-indole;5-(1H-indol-4-yl)-3-(5-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 3-(5-amino-2-chloro-4-methylphenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;bis(3-(2-chloro-4-methyl-5-nitrophenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid);4-[3-ethyl-4-(1H-indol-4-yl)-5-methyl-1H-pyrrol-2-yl]-5-methyl-1H-indole;5-(1H-indol-4-yl)-3-(5-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 3-(5-amino-2-chloro-4-methylphenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;bis(3-(2-chloro-4-methyl-5-nitrophenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid);4-[3-ethyl-4-(1H-indol-4-yl)-5-methyl-1H-pyrrol-2-yl]-5-methyl-1H-indole;5-(1H-indol-4-yl)-3-(5-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid is CCc1c(-c2c(C)ccc3[nH]ccc23)[nH]c(C)c1-c1cccc2[nH]ccc12.Cc1cc(Cl)c(-c2c(C(=O)O)[nH]c(-c3cccc4[nH]ccc34)c2C(C)C)cc1N.Cc1cc(Cl)c(-c2c(C(=O)O)[nH]c(-c3cccc4[nH]ccc34)c2C(C)C)cc1[N+](=O)[O-].Cc1cc(Cl)c(-c2c(C(=O)O)[nH]c(-c3cccc4[nH]ccc34)c2C(C)C)cc1[N+](=O)[O-].Cc1ccc2[nH]ccc2c1-c1c(C(=O)O)[nH]c(-c2cccc3[nH]ccc23)c1C(C)C.
What is the InChIKey of 3-(5-amino-2-chloro-4-methylphenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;bis(3-(2-chloro-4-methyl-5-nitrophenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid);4-[3-ethyl-4-(1H-indol-4-yl)-5-methyl-1H-pyrrol-2-yl]-5-methyl-1H-indole;5-(1H-indol-4-yl)-3-(5-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid?
The InChIKey is AEWUSXMYQDDELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2.C24H23N3.2C23H20ClN3O4.C23H22ClN3O2/c1-13(2)20-22(21-14(3)7-8-19-17(21)10-12-27-19)24(25(29)30)28-23(20)16-5-4-6-18-15(16)9-11-26-18;1-4-16-23(18-6-5-7-20-17(18)10-12-25-20)15(3)27-24(16)22-14(2)8-9-21-19(22)11-13-26-21;2*1-11(2)19-20(15-10-18(27(30)31)12(3)9-16(15)24)22(23(28)29)26-21(19)14-5-4-6-17-13(14)7-8-25-17;1-11(2)19-20(15-10-17(25)12(3)9-16(15)24)22(23(28)29)27-21(19)14-5-4-6-18-13(14)7-8-26-18/h4-13,26-28H,1-3H3,(H,29,30);5-13,25-27H,4H2,1-3H3;2*4-11,25-26H,1-3H3,(H,28,29);4-11,26-27H,25H2,1-3H3,(H,28,29).
What are the key properties of 3-(5-amino-2-chloro-4-methylphenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;bis(3-(2-chloro-4-methyl-5-nitrophenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid);4-[3-ethyl-4-(1H-indol-4-yl)-5-methyl-1H-pyrrol-2-yl]-5-methyl-1H-indole;5-(1H-indol-4-yl)-3-(5-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid?
3-(5-amino-2-chloro-4-methylphenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;bis(3-(2-chloro-4-methyl-5-nitrophenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid);4-[3-ethyl-4-(1H-indol-4-yl)-5-methyl-1H-pyrrol-2-yl]-5-methyl-1H-indole;5-(1H-indol-4-yl)-3-(5-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid has a molecular weight of 2034.61 g/mol, XLogP of 32.17, 21 rotatable bonds, 17 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-chloro-4-methylphenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;bis(3-(2-chloro-4-methyl-5-nitrophenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid);4-[3-ethyl-4-(1H-indol-4-yl)-5-methyl-1H-pyrrol-2-yl]-5-methyl-1H-indole;5-(1H-indol-4-yl)-3-(5-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 164948496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).