(2-pyridin-4-ylazepan-1-yl)-(4,6,7-trimethoxy-1H-indol-2-yl)methanone

C23H27N3O4 — CID 55961322

IUPAC(2-pyridin-4-ylazepan-1-yl)-(4,6,7-trimethoxy-1H-indol-2-yl)methanone
SMILESCOc1cc(OC)c2cc(C(=O)N3CCCCCC3c3ccncc3)[nH]c2c1OC
InChIInChI=1S/C23H27N3O4/c1-28-19-14-20(29-2)22(30-3)21-16(19)13-17(25-21)23(27)26-12-6-4-5-7-18(26)15-8-10-24-11-9-15/h8-11,13-14,18,25H,4-7,12H2,1-3H3
InChIKeyCJHMWVKNOREPEV-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.35
Rot. Bonds5

About (2-pyridin-4-ylazepan-1-yl)-(4,6,7-trimethoxy-1H-indol-2-yl)methanone

(2-pyridin-4-ylazepan-1-yl)-(4,6,7-trimethoxy-1H-indol-2-yl)methanone (PubChem CID 55961322) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is (2-pyridin-4-ylazepan-1-yl)-(4,6,7-trimethoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(2-pyridin-4-ylazepan-1-yl)-(4,6,7-trimethoxy-1H-indol-2-yl)methanone
PubChem CID55961322
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name(2-pyridin-4-ylazepan-1-yl)-(4,6,7-trimethoxy-1H-indol-2-yl)methanone
SMILESCOc1cc(OC)c2cc(C(=O)N3CCCCCC3c3ccncc3)[nH]c2c1OC
InChIInChI=1S/C23H27N3O4/c1-28-19-14-20(29-2)22(30-3)21-16(19)13-17(25-21)23(27)26-12-6-4-5-7-18(26)15-8-10-24-11-9-15/h8-11,13-14,18,25H,4-7,12H2,1-3H3
InChIKeyCJHMWVKNOREPEV-UHFFFAOYSA-N
XLogP4.35
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-pyridin-4-ylazepan-1-yl)-(4,6,7-trimethoxy-1H-indol-2-yl)methanone 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 (2-pyridin-4-ylazepan-1-yl)-(4,6,7-trimethoxy-1H-indol-2-yl)methanone?
The IUPAC name of (2-pyridin-4-ylazepan-1-yl)-(4,6,7-trimethoxy-1H-indol-2-yl)methanone (CID 55961322) is (2-pyridin-4-ylazepan-1-yl)-(4,6,7-trimethoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for (2-pyridin-4-ylazepan-1-yl)-(4,6,7-trimethoxy-1H-indol-2-yl)methanone?
The canonical SMILES for (2-pyridin-4-ylazepan-1-yl)-(4,6,7-trimethoxy-1H-indol-2-yl)methanone is COc1cc(OC)c2cc(C(=O)N3CCCCCC3c3ccncc3)[nH]c2c1OC.
What is the InChIKey of (2-pyridin-4-ylazepan-1-yl)-(4,6,7-trimethoxy-1H-indol-2-yl)methanone?
The InChIKey is CJHMWVKNOREPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-28-19-14-20(29-2)22(30-3)21-16(19)13-17(25-21)23(27)26-12-6-4-5-7-18(26)15-8-10-24-11-9-15/h8-11,13-14,18,25H,4-7,12H2,1-3H3.
What are the key properties of (2-pyridin-4-ylazepan-1-yl)-(4,6,7-trimethoxy-1H-indol-2-yl)methanone?
(2-pyridin-4-ylazepan-1-yl)-(4,6,7-trimethoxy-1H-indol-2-yl)methanone has a molecular weight of 409.49 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyridin-4-ylazepan-1-yl)-(4,6,7-trimethoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 55961322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).