7-[1-(5-chloro-3-propan-2-ylindol-1-yl)propan-2-yl]-6-fluoro-4-[2-(5-methyl-1H-indazol-4-yl)propyl]-1H-indazole

C32H33ClFN5 — CID 135176108

IUPAC7-[1-(5-chloro-3-propan-2-ylindol-1-yl)propan-2-yl]-6-fluoro-4-[2-(5-methyl-1H-indazol-4-yl)propyl]-1H-indazole
SMILESCc1ccc2[nH]ncc2c1C(C)Cc1cc(F)c(C(C)Cn2cc(C(C)C)c3cc(Cl)ccc32)c2[nH]ncc12
InChIInChI=1S/C32H33ClFN5/c1-17(2)26-16-39(29-9-7-22(33)12-23(26)29)15-20(5)31-27(34)11-21(24-13-36-38-32(24)31)10-19(4)30-18(3)6-8-28-25(30)14-35-37-28/h6-9,11-14,16-17,19-20H,10,15H2,1-5H3,(H,35,37)(H,36,38)
InChIKeyXARPECDGXZTSTR-UHFFFAOYSA-N
MW542.10 g/mol
LogP8.77
Rot. Bonds7

About 7-[1-(5-chloro-3-propan-2-ylindol-1-yl)propan-2-yl]-6-fluoro-4-[2-(5-methyl-1H-indazol-4-yl)propyl]-1H-indazole

7-[1-(5-chloro-3-propan-2-ylindol-1-yl)propan-2-yl]-6-fluoro-4-[2-(5-methyl-1H-indazol-4-yl)propyl]-1H-indazole (PubChem CID 135176108) has the molecular formula C32H33ClFN5 and a molecular weight of 542.10 g/mol. Its IUPAC name is 7-[1-(5-chloro-3-propan-2-ylindol-1-yl)propan-2-yl]-6-fluoro-4-[2-(5-methyl-1H-indazol-4-yl)propyl]-1H-indazole.

Molecular Properties

Compound Name7-[1-(5-chloro-3-propan-2-ylindol-1-yl)propan-2-yl]-6-fluoro-4-[2-(5-methyl-1H-indazol-4-yl)propyl]-1H-indazole
PubChem CID135176108
Molecular FormulaC32H33ClFN5
Molecular Weight542.10 g/mol
Exact Mass541.24
IUPAC Name7-[1-(5-chloro-3-propan-2-ylindol-1-yl)propan-2-yl]-6-fluoro-4-[2-(5-methyl-1H-indazol-4-yl)propyl]-1H-indazole
SMILESCc1ccc2[nH]ncc2c1C(C)Cc1cc(F)c(C(C)Cn2cc(C(C)C)c3cc(Cl)ccc32)c2[nH]ncc12
InChIInChI=1S/C32H33ClFN5/c1-17(2)26-16-39(29-9-7-22(33)12-23(26)29)15-20(5)31-27(34)11-21(24-13-36-38-32(24)31)10-19(4)30-18(3)6-8-28-25(30)14-35-37-28/h6-9,11-14,16-17,19-20H,10,15H2,1-5H3,(H,35,37)(H,36,38)
InChIKeyXARPECDGXZTSTR-UHFFFAOYSA-N
XLogP8.77
TPSA62.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.10
LogP ≤ 58.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-[1-(5-chloro-3-propan-2-ylindol-1-yl)propan-2-yl]-6-fluoro-4-[2-(5-methyl-1H-indazol-4-yl)propyl]-1H-indazole 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 7-[1-(5-chloro-3-propan-2-ylindol-1-yl)propan-2-yl]-6-fluoro-4-[2-(5-methyl-1H-indazol-4-yl)propyl]-1H-indazole?
The IUPAC name of 7-[1-(5-chloro-3-propan-2-ylindol-1-yl)propan-2-yl]-6-fluoro-4-[2-(5-methyl-1H-indazol-4-yl)propyl]-1H-indazole (CID 135176108) is 7-[1-(5-chloro-3-propan-2-ylindol-1-yl)propan-2-yl]-6-fluoro-4-[2-(5-methyl-1H-indazol-4-yl)propyl]-1H-indazole.
What is the SMILES notation for 7-[1-(5-chloro-3-propan-2-ylindol-1-yl)propan-2-yl]-6-fluoro-4-[2-(5-methyl-1H-indazol-4-yl)propyl]-1H-indazole?
The canonical SMILES for 7-[1-(5-chloro-3-propan-2-ylindol-1-yl)propan-2-yl]-6-fluoro-4-[2-(5-methyl-1H-indazol-4-yl)propyl]-1H-indazole is Cc1ccc2[nH]ncc2c1C(C)Cc1cc(F)c(C(C)Cn2cc(C(C)C)c3cc(Cl)ccc32)c2[nH]ncc12.
What is the InChIKey of 7-[1-(5-chloro-3-propan-2-ylindol-1-yl)propan-2-yl]-6-fluoro-4-[2-(5-methyl-1H-indazol-4-yl)propyl]-1H-indazole?
The InChIKey is XARPECDGXZTSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33ClFN5/c1-17(2)26-16-39(29-9-7-22(33)12-23(26)29)15-20(5)31-27(34)11-21(24-13-36-38-32(24)31)10-19(4)30-18(3)6-8-28-25(30)14-35-37-28/h6-9,11-14,16-17,19-20H,10,15H2,1-5H3,(H,35,37)(H,36,38).
What are the key properties of 7-[1-(5-chloro-3-propan-2-ylindol-1-yl)propan-2-yl]-6-fluoro-4-[2-(5-methyl-1H-indazol-4-yl)propyl]-1H-indazole?
7-[1-(5-chloro-3-propan-2-ylindol-1-yl)propan-2-yl]-6-fluoro-4-[2-(5-methyl-1H-indazol-4-yl)propyl]-1H-indazole has a molecular weight of 542.10 g/mol, XLogP of 8.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(5-chloro-3-propan-2-ylindol-1-yl)propan-2-yl]-6-fluoro-4-[2-(5-methyl-1H-indazol-4-yl)propyl]-1H-indazole is sourced from PubChem (CID 135176108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).