azepan-1-yl-[1-benzyl-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)indazol-6-yl]methanone

C28H26FN5O — CID 58522803

IUPACazepan-1-yl-[1-benzyl-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)indazol-6-yl]methanone
SMILESO=C(c1ccc2c(-c3cnc4ccc(F)cn34)nn(Cc3ccccc3)c2c1)N1CCCCCC1
InChIInChI=1S/C28H26FN5O/c29-22-11-13-26-30-17-25(33(26)19-22)27-23-12-10-21(28(35)32-14-6-1-2-7-15-32)16-24(23)34(31-27)18-20-8-4-3-5-9-20/h3-5,8-13,16-17,19H,1-2,6-7,14-15,18H2
InChIKeyQOVYCZMAVLCEJF-UHFFFAOYSA-N
MW467.55 g/mol
LogP5.55
Rot. Bonds4

About azepan-1-yl-[1-benzyl-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)indazol-6-yl]methanone

azepan-1-yl-[1-benzyl-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)indazol-6-yl]methanone (PubChem CID 58522803) has the molecular formula C28H26FN5O and a molecular weight of 467.55 g/mol. Its IUPAC name is azepan-1-yl-[1-benzyl-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)indazol-6-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-benzyl-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)indazol-6-yl]methanone
PubChem CID58522803
Molecular FormulaC28H26FN5O
Molecular Weight467.55 g/mol
Exact Mass467.21
IUPAC Nameazepan-1-yl-[1-benzyl-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)indazol-6-yl]methanone
SMILESO=C(c1ccc2c(-c3cnc4ccc(F)cn34)nn(Cc3ccccc3)c2c1)N1CCCCCC1
InChIInChI=1S/C28H26FN5O/c29-22-11-13-26-30-17-25(33(26)19-22)27-23-12-10-21(28(35)32-14-6-1-2-7-15-32)16-24(23)34(31-27)18-20-8-4-3-5-9-20/h3-5,8-13,16-17,19H,1-2,6-7,14-15,18H2
InChIKeyQOVYCZMAVLCEJF-UHFFFAOYSA-N
XLogP5.55
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.55
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze azepan-1-yl-[1-benzyl-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)indazol-6-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 azepan-1-yl-[1-benzyl-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)indazol-6-yl]methanone?
The IUPAC name of azepan-1-yl-[1-benzyl-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)indazol-6-yl]methanone (CID 58522803) is azepan-1-yl-[1-benzyl-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)indazol-6-yl]methanone.
What is the SMILES notation for azepan-1-yl-[1-benzyl-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)indazol-6-yl]methanone?
The canonical SMILES for azepan-1-yl-[1-benzyl-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)indazol-6-yl]methanone is O=C(c1ccc2c(-c3cnc4ccc(F)cn34)nn(Cc3ccccc3)c2c1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[1-benzyl-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)indazol-6-yl]methanone?
The InChIKey is QOVYCZMAVLCEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O/c29-22-11-13-26-30-17-25(33(26)19-22)27-23-12-10-21(28(35)32-14-6-1-2-7-15-32)16-24(23)34(31-27)18-20-8-4-3-5-9-20/h3-5,8-13,16-17,19H,1-2,6-7,14-15,18H2.
What are the key properties of azepan-1-yl-[1-benzyl-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)indazol-6-yl]methanone?
azepan-1-yl-[1-benzyl-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)indazol-6-yl]methanone has a molecular weight of 467.55 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[1-benzyl-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)indazol-6-yl]methanone is sourced from PubChem (CID 58522803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).