N'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide

C53H48N8O6 — CID 69240235

IUPACN'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide
SMILESCc1cc(C(=O)c2cc(NC(=O)CCC(=O)Nc3cc(C(=O)c4ccnc(N5CCOCC5)c4)cc(-c4cccc5[nH]ccc45)c3)cc(-c3cccc4[nH]ccc34)c2)cc(N2CCOCC2)n1
InChIInChI=1S/C53H48N8O6/c1-33-24-37(32-49(57-33)61-18-22-67-23-19-61)53(65)39-26-36(43-5-3-7-47-45(43)12-15-55-47)28-41(30-39)59-51(63)9-8-50(62)58-40-27-35(42-4-2-6-46-44(42)11-14-54-46)25-38(29-40)52(64)34-10-13-56-48(31-34)60-16-20-66-21-17-60/h2-7,10-15,24-32,54-55H,8-9,16-23H2,1H3,(H,58,62)(H,59,63)
InChIKeyBDKMISBBIOAXGM-UHFFFAOYSA-N
MW893.02 g/mol
LogP8.57
Rot. Bonds13

About N'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide

N'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide (PubChem CID 69240235) has the molecular formula C53H48N8O6 and a molecular weight of 893.02 g/mol. Its IUPAC name is N'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide.

Molecular Properties

Compound NameN'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide
PubChem CID69240235
Molecular FormulaC53H48N8O6
Molecular Weight893.02 g/mol
Exact Mass892.37
IUPAC NameN'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide
SMILESCc1cc(C(=O)c2cc(NC(=O)CCC(=O)Nc3cc(C(=O)c4ccnc(N5CCOCC5)c4)cc(-c4cccc5[nH]ccc45)c3)cc(-c3cccc4[nH]ccc34)c2)cc(N2CCOCC2)n1
InChIInChI=1S/C53H48N8O6/c1-33-24-37(32-49(57-33)61-18-22-67-23-19-61)53(65)39-26-36(43-5-3-7-47-45(43)12-15-55-47)28-41(30-39)59-51(63)9-8-50(62)58-40-27-35(42-4-2-6-46-44(42)11-14-54-46)25-38(29-40)52(64)34-10-13-56-48(31-34)60-16-20-66-21-17-60/h2-7,10-15,24-32,54-55H,8-9,16-23H2,1H3,(H,58,62)(H,59,63)
InChIKeyBDKMISBBIOAXGM-UHFFFAOYSA-N
XLogP8.57
TPSA174.64 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.02
LogP ≤ 58.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze N'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide 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 N'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide?
The IUPAC name of N'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide (CID 69240235) is N'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide.
What is the SMILES notation for N'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide?
The canonical SMILES for N'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide is Cc1cc(C(=O)c2cc(NC(=O)CCC(=O)Nc3cc(C(=O)c4ccnc(N5CCOCC5)c4)cc(-c4cccc5[nH]ccc45)c3)cc(-c3cccc4[nH]ccc34)c2)cc(N2CCOCC2)n1.
What is the InChIKey of N'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide?
The InChIKey is BDKMISBBIOAXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H48N8O6/c1-33-24-37(32-49(57-33)61-18-22-67-23-19-61)53(65)39-26-36(43-5-3-7-47-45(43)12-15-55-47)28-41(30-39)59-51(63)9-8-50(62)58-40-27-35(42-4-2-6-46-44(42)11-14-54-46)25-38(29-40)52(64)34-10-13-56-48(31-34)60-16-20-66-21-17-60/h2-7,10-15,24-32,54-55H,8-9,16-23H2,1H3,(H,58,62)(H,59,63).
What are the key properties of N'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide?
N'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide has a molecular weight of 893.02 g/mol, XLogP of 8.57, 13 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide is sourced from PubChem (CID 69240235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).