3-[5-(2-chloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide

C26H26ClN5O2 — CID 71602723

IUPAC3-[5-(2-chloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1cccc(-n2ncc3cc(Nc4ccccc4Cl)ccc32)c1
InChIInChI=1S/C26H26ClN5O2/c27-23-6-1-2-7-24(23)30-21-8-9-25-20(16-21)18-29-32(25)22-5-3-4-19(17-22)26(33)28-10-11-31-12-14-34-15-13-31/h1-9,16-18,30H,10-15H2,(H,28,33)
InChIKeyCUFBUESSXCZHQS-UHFFFAOYSA-N
MW475.98 g/mol
LogP4.48
Rot. Bonds7

About 3-[5-(2-chloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide

3-[5-(2-chloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 71602723) has the molecular formula C26H26ClN5O2 and a molecular weight of 475.98 g/mol. Its IUPAC name is 3-[5-(2-chloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-[5-(2-chloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID71602723
Molecular FormulaC26H26ClN5O2
Molecular Weight475.98 g/mol
Exact Mass475.18
IUPAC Name3-[5-(2-chloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1cccc(-n2ncc3cc(Nc4ccccc4Cl)ccc32)c1
InChIInChI=1S/C26H26ClN5O2/c27-23-6-1-2-7-24(23)30-21-8-9-25-20(16-21)18-29-32(25)22-5-3-4-19(17-22)26(33)28-10-11-31-12-14-34-15-13-31/h1-9,16-18,30H,10-15H2,(H,28,33)
InChIKeyCUFBUESSXCZHQS-UHFFFAOYSA-N
XLogP4.48
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.98
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-[5-(2-chloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide (CID 71602723) is 3-[5-(2-chloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-[5-(2-chloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-[5-(2-chloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide is O=C(NCCN1CCOCC1)c1cccc(-n2ncc3cc(Nc4ccccc4Cl)ccc32)c1.
What is the InChIKey of 3-[5-(2-chloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is CUFBUESSXCZHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O2/c27-23-6-1-2-7-24(23)30-21-8-9-25-20(16-21)18-29-32(25)22-5-3-4-19(17-22)26(33)28-10-11-31-12-14-34-15-13-31/h1-9,16-18,30H,10-15H2,(H,28,33).
What are the key properties of 3-[5-(2-chloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide?
3-[5-(2-chloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 475.98 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 71602723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).