(6-bromo-1H-indazol-4-yl)-(6-fluoro-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone

C20H16BrFN4O — CID 166746644

IUPAC(6-bromo-1H-indazol-4-yl)-(6-fluoro-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
SMILESCc1ccc(F)c2[nH]c3c(c12)CN(C(=O)c1cc(Br)cc2[nH]ncc12)CC3
InChIInChI=1S/C20H16BrFN4O/c1-10-2-3-15(22)19-18(10)14-9-26(5-4-16(14)24-19)20(27)12-6-11(21)7-17-13(12)8-23-25-17/h2-3,6-8,24H,4-5,9H2,1H3,(H,23,25)
InChIKeyXOPZCBWLPXDOBR-UHFFFAOYSA-N
MW427.28 g/mol
LogP4.45
Rot. Bonds1

About (6-bromo-1H-indazol-4-yl)-(6-fluoro-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone

(6-bromo-1H-indazol-4-yl)-(6-fluoro-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone (PubChem CID 166746644) has the molecular formula C20H16BrFN4O and a molecular weight of 427.28 g/mol. Its IUPAC name is (6-bromo-1H-indazol-4-yl)-(6-fluoro-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone.

Molecular Properties

Compound Name(6-bromo-1H-indazol-4-yl)-(6-fluoro-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
PubChem CID166746644
Molecular FormulaC20H16BrFN4O
Molecular Weight427.28 g/mol
Exact Mass426.05
IUPAC Name(6-bromo-1H-indazol-4-yl)-(6-fluoro-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
SMILESCc1ccc(F)c2[nH]c3c(c12)CN(C(=O)c1cc(Br)cc2[nH]ncc12)CC3
InChIInChI=1S/C20H16BrFN4O/c1-10-2-3-15(22)19-18(10)14-9-26(5-4-16(14)24-19)20(27)12-6-11(21)7-17-13(12)8-23-25-17/h2-3,6-8,24H,4-5,9H2,1H3,(H,23,25)
InChIKeyXOPZCBWLPXDOBR-UHFFFAOYSA-N
XLogP4.45
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.28
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (6-bromo-1H-indazol-4-yl)-(6-fluoro-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]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 (6-bromo-1H-indazol-4-yl)-(6-fluoro-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone?
The IUPAC name of (6-bromo-1H-indazol-4-yl)-(6-fluoro-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone (CID 166746644) is (6-bromo-1H-indazol-4-yl)-(6-fluoro-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone.
What is the SMILES notation for (6-bromo-1H-indazol-4-yl)-(6-fluoro-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone?
The canonical SMILES for (6-bromo-1H-indazol-4-yl)-(6-fluoro-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone is Cc1ccc(F)c2[nH]c3c(c12)CN(C(=O)c1cc(Br)cc2[nH]ncc12)CC3.
What is the InChIKey of (6-bromo-1H-indazol-4-yl)-(6-fluoro-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone?
The InChIKey is XOPZCBWLPXDOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrFN4O/c1-10-2-3-15(22)19-18(10)14-9-26(5-4-16(14)24-19)20(27)12-6-11(21)7-17-13(12)8-23-25-17/h2-3,6-8,24H,4-5,9H2,1H3,(H,23,25).
What are the key properties of (6-bromo-1H-indazol-4-yl)-(6-fluoro-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone?
(6-bromo-1H-indazol-4-yl)-(6-fluoro-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone has a molecular weight of 427.28 g/mol, XLogP of 4.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1H-indazol-4-yl)-(6-fluoro-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone is sourced from PubChem (CID 166746644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).