3-[5-(2,6-dichloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide

C26H25Cl2N5O2 — CID 71602768

IUPAC3-[5-(2,6-dichloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1cccc(-n2ncc3cc(Nc4c(Cl)cccc4Cl)ccc32)c1
InChIInChI=1S/C26H25Cl2N5O2/c27-22-5-2-6-23(28)25(22)31-20-7-8-24-19(15-20)17-30-33(24)21-4-1-3-18(16-21)26(34)29-9-10-32-11-13-35-14-12-32/h1-8,15-17,31H,9-14H2,(H,29,34)
InChIKeyBVLMMOAMFUAZEC-UHFFFAOYSA-N
MW510.43 g/mol
LogP5.14
Rot. Bonds7

About 3-[5-(2,6-dichloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide

3-[5-(2,6-dichloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 71602768) has the molecular formula C26H25Cl2N5O2 and a molecular weight of 510.43 g/mol. Its IUPAC name is 3-[5-(2,6-dichloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-[5-(2,6-dichloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID71602768
Molecular FormulaC26H25Cl2N5O2
Molecular Weight510.43 g/mol
Exact Mass509.14
IUPAC Name3-[5-(2,6-dichloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1cccc(-n2ncc3cc(Nc4c(Cl)cccc4Cl)ccc32)c1
InChIInChI=1S/C26H25Cl2N5O2/c27-22-5-2-6-23(28)25(22)31-20-7-8-24-19(15-20)17-30-33(24)21-4-1-3-18(16-21)26(34)29-9-10-32-11-13-35-14-12-32/h1-8,15-17,31H,9-14H2,(H,29,34)
InChIKeyBVLMMOAMFUAZEC-UHFFFAOYSA-N
XLogP5.14
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.43
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-dichloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-[5-(2,6-dichloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide (CID 71602768) is 3-[5-(2,6-dichloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-[5-(2,6-dichloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-[5-(2,6-dichloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide is O=C(NCCN1CCOCC1)c1cccc(-n2ncc3cc(Nc4c(Cl)cccc4Cl)ccc32)c1.
What is the InChIKey of 3-[5-(2,6-dichloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is BVLMMOAMFUAZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2N5O2/c27-22-5-2-6-23(28)25(22)31-20-7-8-24-19(15-20)17-30-33(24)21-4-1-3-18(16-21)26(34)29-9-10-32-11-13-35-14-12-32/h1-8,15-17,31H,9-14H2,(H,29,34).
What are the key properties of 3-[5-(2,6-dichloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide?
3-[5-(2,6-dichloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 510.43 g/mol, XLogP of 5.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,6-dichloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 71602768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).