4-(4-acetylpiperazin-1-yl)-N-(3-ethyl-1H-indol-5-yl)-6-morpholin-4-ylpyridine-2-carboxamide

C26H32N6O3 — CID 59258657

IUPAC4-(4-acetylpiperazin-1-yl)-N-(3-ethyl-1H-indol-5-yl)-6-morpholin-4-ylpyridine-2-carboxamide
SMILESCCc1c[nH]c2ccc(NC(=O)c3cc(N4CCN(C(C)=O)CC4)cc(N4CCOCC4)n3)cc12
InChIInChI=1S/C26H32N6O3/c1-3-19-17-27-23-5-4-20(14-22(19)23)28-26(34)24-15-21(31-8-6-30(7-9-31)18(2)33)16-25(29-24)32-10-12-35-13-11-32/h4-5,14-17,27H,3,6-13H2,1-2H3,(H,28,34)
InChIKeyOWPHZUVPTNUUQN-UHFFFAOYSA-N
MW476.58 g/mol
LogP2.88
Rot. Bonds5

About 4-(4-acetylpiperazin-1-yl)-N-(3-ethyl-1H-indol-5-yl)-6-morpholin-4-ylpyridine-2-carboxamide

4-(4-acetylpiperazin-1-yl)-N-(3-ethyl-1H-indol-5-yl)-6-morpholin-4-ylpyridine-2-carboxamide (PubChem CID 59258657) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)-N-(3-ethyl-1H-indol-5-yl)-6-morpholin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)-N-(3-ethyl-1H-indol-5-yl)-6-morpholin-4-ylpyridine-2-carboxamide
PubChem CID59258657
Molecular FormulaC26H32N6O3
Molecular Weight476.58 g/mol
Exact Mass476.25
IUPAC Name4-(4-acetylpiperazin-1-yl)-N-(3-ethyl-1H-indol-5-yl)-6-morpholin-4-ylpyridine-2-carboxamide
SMILESCCc1c[nH]c2ccc(NC(=O)c3cc(N4CCN(C(C)=O)CC4)cc(N4CCOCC4)n3)cc12
InChIInChI=1S/C26H32N6O3/c1-3-19-17-27-23-5-4-20(14-22(19)23)28-26(34)24-15-21(31-8-6-30(7-9-31)18(2)33)16-25(29-24)32-10-12-35-13-11-32/h4-5,14-17,27H,3,6-13H2,1-2H3,(H,28,34)
InChIKeyOWPHZUVPTNUUQN-UHFFFAOYSA-N
XLogP2.88
TPSA93.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(4-acetylpiperazin-1-yl)-N-(3-ethyl-1H-indol-5-yl)-6-morpholin-4-ylpyridine-2-carboxamide 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 4-(4-acetylpiperazin-1-yl)-N-(3-ethyl-1H-indol-5-yl)-6-morpholin-4-ylpyridine-2-carboxamide?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)-N-(3-ethyl-1H-indol-5-yl)-6-morpholin-4-ylpyridine-2-carboxamide (CID 59258657) is 4-(4-acetylpiperazin-1-yl)-N-(3-ethyl-1H-indol-5-yl)-6-morpholin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)-N-(3-ethyl-1H-indol-5-yl)-6-morpholin-4-ylpyridine-2-carboxamide?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)-N-(3-ethyl-1H-indol-5-yl)-6-morpholin-4-ylpyridine-2-carboxamide is CCc1c[nH]c2ccc(NC(=O)c3cc(N4CCN(C(C)=O)CC4)cc(N4CCOCC4)n3)cc12.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)-N-(3-ethyl-1H-indol-5-yl)-6-morpholin-4-ylpyridine-2-carboxamide?
The InChIKey is OWPHZUVPTNUUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-3-19-17-27-23-5-4-20(14-22(19)23)28-26(34)24-15-21(31-8-6-30(7-9-31)18(2)33)16-25(29-24)32-10-12-35-13-11-32/h4-5,14-17,27H,3,6-13H2,1-2H3,(H,28,34).
What are the key properties of 4-(4-acetylpiperazin-1-yl)-N-(3-ethyl-1H-indol-5-yl)-6-morpholin-4-ylpyridine-2-carboxamide?
4-(4-acetylpiperazin-1-yl)-N-(3-ethyl-1H-indol-5-yl)-6-morpholin-4-ylpyridine-2-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazin-1-yl)-N-(3-ethyl-1H-indol-5-yl)-6-morpholin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 59258657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).