6-[3-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-1-yl]hexan-3-one

C32H34N6O2 — CID 155566803

IUPAC6-[3-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-1-yl]hexan-3-one
SMILESCCC(=O)CCCN1CCN(C(=O)Cc2c[nH]c3ncccc23)C(c2ncc(-c3ccc4ccccc4c3)[nH]2)C1
InChIInChI=1S/C32H34N6O2/c1-2-26(39)9-6-14-37-15-16-38(30(40)18-25-19-34-31-27(25)10-5-13-33-31)29(21-37)32-35-20-28(36-32)24-12-11-22-7-3-4-8-23(22)17-24/h3-5,7-8,10-13,17,19-20,29H,2,6,9,14-16,18,21H2,1H3,(H,33,34)(H,35,36)
InChIKeyRZQDVFKPQMRDRF-UHFFFAOYSA-N
MW534.66 g/mol
LogP5.29
Rot. Bonds9

About 6-[3-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-1-yl]hexan-3-one

6-[3-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-1-yl]hexan-3-one (PubChem CID 155566803) has the molecular formula C32H34N6O2 and a molecular weight of 534.66 g/mol. Its IUPAC name is 6-[3-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-1-yl]hexan-3-one.

Molecular Properties

Compound Name6-[3-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-1-yl]hexan-3-one
PubChem CID155566803
Molecular FormulaC32H34N6O2
Molecular Weight534.66 g/mol
Exact Mass534.27
IUPAC Name6-[3-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-1-yl]hexan-3-one
SMILESCCC(=O)CCCN1CCN(C(=O)Cc2c[nH]c3ncccc23)C(c2ncc(-c3ccc4ccccc4c3)[nH]2)C1
InChIInChI=1S/C32H34N6O2/c1-2-26(39)9-6-14-37-15-16-38(30(40)18-25-19-34-31-27(25)10-5-13-33-31)29(21-37)32-35-20-28(36-32)24-12-11-22-7-3-4-8-23(22)17-24/h3-5,7-8,10-13,17,19-20,29H,2,6,9,14-16,18,21H2,1H3,(H,33,34)(H,35,36)
InChIKeyRZQDVFKPQMRDRF-UHFFFAOYSA-N
XLogP5.29
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.66
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[3-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-1-yl]hexan-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

Frequently Asked Questions

What is the IUPAC name of 6-[3-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-1-yl]hexan-3-one?
The IUPAC name of 6-[3-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-1-yl]hexan-3-one (CID 155566803) is 6-[3-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-1-yl]hexan-3-one.
What is the SMILES notation for 6-[3-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-1-yl]hexan-3-one?
The canonical SMILES for 6-[3-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-1-yl]hexan-3-one is CCC(=O)CCCN1CCN(C(=O)Cc2c[nH]c3ncccc23)C(c2ncc(-c3ccc4ccccc4c3)[nH]2)C1.
What is the InChIKey of 6-[3-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-1-yl]hexan-3-one?
The InChIKey is RZQDVFKPQMRDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N6O2/c1-2-26(39)9-6-14-37-15-16-38(30(40)18-25-19-34-31-27(25)10-5-13-33-31)29(21-37)32-35-20-28(36-32)24-12-11-22-7-3-4-8-23(22)17-24/h3-5,7-8,10-13,17,19-20,29H,2,6,9,14-16,18,21H2,1H3,(H,33,34)(H,35,36).
What are the key properties of 6-[3-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-1-yl]hexan-3-one?
6-[3-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-1-yl]hexan-3-one has a molecular weight of 534.66 g/mol, XLogP of 5.29, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-1-yl]hexan-3-one is sourced from PubChem (CID 155566803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).