2,4-bis[4-[4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoyl]piperazin-1-yl]pentan-3-one

C57H52N10O3 — CID 175278548

IUPAC2,4-bis[4-[4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoyl]piperazin-1-yl]pentan-3-one
SMILESCC(C(=O)C(C)N1CCN(C(=O)c2ccc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)cc2)CC1)N1CCN(C(=O)c2ccc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)cc2)CC1
InChIInChI=1S/C57H52N10O3/c1-35(64-19-23-66(24-20-64)56(69)39-7-3-37(4-8-39)45-29-47-49(33-62-54(47)60-31-45)41-11-13-51-43(27-41)15-17-58-51)53(68)36(2)65-21-25-67(26-22-65)57(70)40-9-5-38(6-10-40)46-30-48-50(34-63-55(48)61-32-46)42-12-14-52-44(28-42)16-18-59-52/h3-18,27-36,58-59H,19-26H2,1-2H3,(H,60,62)(H,61,63)
InChIKeyZAZKLYXVCTZAGG-UHFFFAOYSA-N
MW925.11 g/mol
LogP9.63
Rot. Bonds10

About 2,4-bis[4-[4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoyl]piperazin-1-yl]pentan-3-one

2,4-bis[4-[4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoyl]piperazin-1-yl]pentan-3-one (PubChem CID 175278548) has the molecular formula C57H52N10O3 and a molecular weight of 925.11 g/mol. Its IUPAC name is 2,4-bis[4-[4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoyl]piperazin-1-yl]pentan-3-one.

Molecular Properties

Compound Name2,4-bis[4-[4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoyl]piperazin-1-yl]pentan-3-one
PubChem CID175278548
Molecular FormulaC57H52N10O3
Molecular Weight925.11 g/mol
Exact Mass924.42
IUPAC Name2,4-bis[4-[4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoyl]piperazin-1-yl]pentan-3-one
SMILESCC(C(=O)C(C)N1CCN(C(=O)c2ccc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)cc2)CC1)N1CCN(C(=O)c2ccc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)cc2)CC1
InChIInChI=1S/C57H52N10O3/c1-35(64-19-23-66(24-20-64)56(69)39-7-3-37(4-8-39)45-29-47-49(33-62-54(47)60-31-45)41-11-13-51-43(27-41)15-17-58-51)53(68)36(2)65-21-25-67(26-22-65)57(70)40-9-5-38(6-10-40)46-30-48-50(34-63-55(48)61-32-46)42-12-14-52-44(28-42)16-18-59-52/h3-18,27-36,58-59H,19-26H2,1-2H3,(H,60,62)(H,61,63)
InChIKeyZAZKLYXVCTZAGG-UHFFFAOYSA-N
XLogP9.63
TPSA153.11 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.11
LogP ≤ 59.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2,4-bis[4-[4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoyl]piperazin-1-yl]pentan-3-one with MolForge

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

Launch Full Analysis

Related Compounds

4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde
CID 154700345
N-[3-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide
CID 11952605
1-[4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N,N-dimethylmethanamine
CID 46234665
[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-piperidin-1-ylmethanone
CID 146274420
[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone
CID 146274494
3-(2-ethylphenyl)-5-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 59700061
3-(1H-indol-5-yl)-5-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 70114360
[3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-piperazin-1-ylmethanone
CID 141325162
1H-indol-5-yl-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 90491452
4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid
CID 151646717
1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 63717494
(E)-3-[5-[4-(piperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 118264194

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[4-[4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoyl]piperazin-1-yl]pentan-3-one?
The IUPAC name of 2,4-bis[4-[4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoyl]piperazin-1-yl]pentan-3-one (CID 175278548) is 2,4-bis[4-[4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoyl]piperazin-1-yl]pentan-3-one.
What is the SMILES notation for 2,4-bis[4-[4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoyl]piperazin-1-yl]pentan-3-one?
The canonical SMILES for 2,4-bis[4-[4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoyl]piperazin-1-yl]pentan-3-one is CC(C(=O)C(C)N1CCN(C(=O)c2ccc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)cc2)CC1)N1CCN(C(=O)c2ccc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)cc2)CC1.
What is the InChIKey of 2,4-bis[4-[4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoyl]piperazin-1-yl]pentan-3-one?
The InChIKey is ZAZKLYXVCTZAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H52N10O3/c1-35(64-19-23-66(24-20-64)56(69)39-7-3-37(4-8-39)45-29-47-49(33-62-54(47)60-31-45)41-11-13-51-43(27-41)15-17-58-51)53(68)36(2)65-21-25-67(26-22-65)57(70)40-9-5-38(6-10-40)46-30-48-50(34-63-55(48)61-32-46)42-12-14-52-44(28-42)16-18-59-52/h3-18,27-36,58-59H,19-26H2,1-2H3,(H,60,62)(H,61,63).
What are the key properties of 2,4-bis[4-[4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoyl]piperazin-1-yl]pentan-3-one?
2,4-bis[4-[4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoyl]piperazin-1-yl]pentan-3-one has a molecular weight of 925.11 g/mol, XLogP of 9.63, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[4-[4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoyl]piperazin-1-yl]pentan-3-one is sourced from PubChem (CID 175278548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).