1-(2-aminoethyl)pyrrolidine-2-carboxamide;6-bromo-2-(5-chloro-1H-indol-2-yl)-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-1H-indole-3-carboxamide;6-bromo-2-(5-methyl-1H-indol-2-yl)-3-propan-2-yl-1H-indole

C52H61Br2ClN10O2 — CID 145305263

IUPAC1-(2-aminoethyl)pyrrolidine-2-carboxamide;6-bromo-2-(5-chloro-1H-indol-2-yl)-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-1H-indole-3-carboxamide;6-bromo-2-(5-methyl-1H-indol-2-yl)-3-propan-2-yl-1H-indole
SMILESCN1CCCN(CCNC(=O)c2c(-c3cc4cc(Cl)ccc4[nH]3)[nH]c3cc(Br)ccc23)CC1.Cc1ccc2[nH]c(-c3[nH]c4cc(Br)ccc4c3C(C)C)cc2c1.NCCN1CCCC1C(N)=O
InChIInChI=1S/C25H27BrClN5O.C20H19BrN2.C7H15N3O/c1-31-8-2-9-32(12-11-31)10-7-28-25(33)23-19-5-3-17(26)15-21(19)30-24(23)22-14-16-13-18(27)4-6-20(16)29-22;1-11(2)19-15-6-5-14(21)10-17(15)23-20(19)18-9-13-8-12(3)4-7-16(13)22-18;8-3-5-10-4-1-2-6(10)7(9)11/h3-6,13-15,29-30H,2,7-12H2,1H3,(H,28,33);4-11,22-23H,1-3H3;6H,1-5,8H2,(H2,9,11)
InChIKeyGUDCPNRSRMPXHY-UHFFFAOYSA-N
MW1053.39 g/mol
LogP10.50
Rot. Bonds10

About 1-(2-aminoethyl)pyrrolidine-2-carboxamide;6-bromo-2-(5-chloro-1H-indol-2-yl)-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-1H-indole-3-carboxamide;6-bromo-2-(5-methyl-1H-indol-2-yl)-3-propan-2-yl-1H-indole

1-(2-aminoethyl)pyrrolidine-2-carboxamide;6-bromo-2-(5-chloro-1H-indol-2-yl)-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-1H-indole-3-carboxamide;6-bromo-2-(5-methyl-1H-indol-2-yl)-3-propan-2-yl-1H-indole (PubChem CID 145305263) has the molecular formula C52H61Br2ClN10O2 and a molecular weight of 1053.39 g/mol. Its IUPAC name is 1-(2-aminoethyl)pyrrolidine-2-carboxamide;6-bromo-2-(5-chloro-1H-indol-2-yl)-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-1H-indole-3-carboxamide;6-bromo-2-(5-methyl-1H-indol-2-yl)-3-propan-2-yl-1H-indole.

Molecular Properties

Compound Name1-(2-aminoethyl)pyrrolidine-2-carboxamide;6-bromo-2-(5-chloro-1H-indol-2-yl)-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-1H-indole-3-carboxamide;6-bromo-2-(5-methyl-1H-indol-2-yl)-3-propan-2-yl-1H-indole
PubChem CID145305263
Molecular FormulaC52H61Br2ClN10O2
Molecular Weight1053.39 g/mol
Exact Mass1050.30
IUPAC Name1-(2-aminoethyl)pyrrolidine-2-carboxamide;6-bromo-2-(5-chloro-1H-indol-2-yl)-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-1H-indole-3-carboxamide;6-bromo-2-(5-methyl-1H-indol-2-yl)-3-propan-2-yl-1H-indole
SMILESCN1CCCN(CCNC(=O)c2c(-c3cc4cc(Cl)ccc4[nH]3)[nH]c3cc(Br)ccc23)CC1.Cc1ccc2[nH]c(-c3[nH]c4cc(Br)ccc4c3C(C)C)cc2c1.NCCN1CCCC1C(N)=O
InChIInChI=1S/C25H27BrClN5O.C20H19BrN2.C7H15N3O/c1-31-8-2-9-32(12-11-31)10-7-28-25(33)23-19-5-3-17(26)15-21(19)30-24(23)22-14-16-13-18(27)4-6-20(16)29-22;1-11(2)19-15-6-5-14(21)10-17(15)23-20(19)18-9-13-8-12(3)4-7-16(13)22-18;8-3-5-10-4-1-2-6(10)7(9)11/h3-6,13-15,29-30H,2,7-12H2,1H3,(H,28,33);4-11,22-23H,1-3H3;6H,1-5,8H2,(H2,9,11)
InChIKeyGUDCPNRSRMPXHY-UHFFFAOYSA-N
XLogP10.50
TPSA171.09 Ų
H-Bond Donors7
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001053.39
LogP ≤ 510.50
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 1-(2-aminoethyl)pyrrolidine-2-carboxamide;6-bromo-2-(5-chloro-1H-indol-2-yl)-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-1H-indole-3-carboxamide;6-bromo-2-(5-methyl-1H-indol-2-yl)-3-propan-2-yl-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)pyrrolidine-2-carboxamide;6-bromo-2-(5-chloro-1H-indol-2-yl)-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-1H-indole-3-carboxamide;6-bromo-2-(5-methyl-1H-indol-2-yl)-3-propan-2-yl-1H-indole?
The IUPAC name of 1-(2-aminoethyl)pyrrolidine-2-carboxamide;6-bromo-2-(5-chloro-1H-indol-2-yl)-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-1H-indole-3-carboxamide;6-bromo-2-(5-methyl-1H-indol-2-yl)-3-propan-2-yl-1H-indole (CID 145305263) is 1-(2-aminoethyl)pyrrolidine-2-carboxamide;6-bromo-2-(5-chloro-1H-indol-2-yl)-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-1H-indole-3-carboxamide;6-bromo-2-(5-methyl-1H-indol-2-yl)-3-propan-2-yl-1H-indole.
What is the SMILES notation for 1-(2-aminoethyl)pyrrolidine-2-carboxamide;6-bromo-2-(5-chloro-1H-indol-2-yl)-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-1H-indole-3-carboxamide;6-bromo-2-(5-methyl-1H-indol-2-yl)-3-propan-2-yl-1H-indole?
The canonical SMILES for 1-(2-aminoethyl)pyrrolidine-2-carboxamide;6-bromo-2-(5-chloro-1H-indol-2-yl)-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-1H-indole-3-carboxamide;6-bromo-2-(5-methyl-1H-indol-2-yl)-3-propan-2-yl-1H-indole is CN1CCCN(CCNC(=O)c2c(-c3cc4cc(Cl)ccc4[nH]3)[nH]c3cc(Br)ccc23)CC1.Cc1ccc2[nH]c(-c3[nH]c4cc(Br)ccc4c3C(C)C)cc2c1.NCCN1CCCC1C(N)=O.
What is the InChIKey of 1-(2-aminoethyl)pyrrolidine-2-carboxamide;6-bromo-2-(5-chloro-1H-indol-2-yl)-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-1H-indole-3-carboxamide;6-bromo-2-(5-methyl-1H-indol-2-yl)-3-propan-2-yl-1H-indole?
The InChIKey is GUDCPNRSRMPXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BrClN5O.C20H19BrN2.C7H15N3O/c1-31-8-2-9-32(12-11-31)10-7-28-25(33)23-19-5-3-17(26)15-21(19)30-24(23)22-14-16-13-18(27)4-6-20(16)29-22;1-11(2)19-15-6-5-14(21)10-17(15)23-20(19)18-9-13-8-12(3)4-7-16(13)22-18;8-3-5-10-4-1-2-6(10)7(9)11/h3-6,13-15,29-30H,2,7-12H2,1H3,(H,28,33);4-11,22-23H,1-3H3;6H,1-5,8H2,(H2,9,11).
What are the key properties of 1-(2-aminoethyl)pyrrolidine-2-carboxamide;6-bromo-2-(5-chloro-1H-indol-2-yl)-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-1H-indole-3-carboxamide;6-bromo-2-(5-methyl-1H-indol-2-yl)-3-propan-2-yl-1H-indole?
1-(2-aminoethyl)pyrrolidine-2-carboxamide;6-bromo-2-(5-chloro-1H-indol-2-yl)-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-1H-indole-3-carboxamide;6-bromo-2-(5-methyl-1H-indol-2-yl)-3-propan-2-yl-1H-indole has a molecular weight of 1053.39 g/mol, XLogP of 10.50, 10 rotatable bonds, 7 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)pyrrolidine-2-carboxamide;6-bromo-2-(5-chloro-1H-indol-2-yl)-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-1H-indole-3-carboxamide;6-bromo-2-(5-methyl-1H-indol-2-yl)-3-propan-2-yl-1H-indole is sourced from PubChem (CID 145305263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).