3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-(3-morpholin-4-ylpropyl)benzamide

C27H28ClN5O2 — CID 10152189

IUPAC3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1cccc(-c2n[nH]c3cc(Nc4ccccc4Cl)ccc23)c1
InChIInChI=1S/C27H28ClN5O2/c28-23-7-1-2-8-24(23)30-21-9-10-22-25(18-21)31-32-26(22)19-5-3-6-20(17-19)27(34)29-11-4-12-33-13-15-35-16-14-33/h1-3,5-10,17-18,30H,4,11-16H2,(H,29,34)(H,31,32)
InChIKeyWMTFXHFSJAESMU-UHFFFAOYSA-N
MW490.01 g/mol
LogP5.08
Rot. Bonds8

About 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-(3-morpholin-4-ylpropyl)benzamide

3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 10152189) has the molecular formula C27H28ClN5O2 and a molecular weight of 490.01 g/mol. Its IUPAC name is 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID10152189
Molecular FormulaC27H28ClN5O2
Molecular Weight490.01 g/mol
Exact Mass489.19
IUPAC Name3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1cccc(-c2n[nH]c3cc(Nc4ccccc4Cl)ccc23)c1
InChIInChI=1S/C27H28ClN5O2/c28-23-7-1-2-8-24(23)30-21-9-10-22-25(18-21)31-32-26(22)19-5-3-6-20(17-19)27(34)29-11-4-12-33-13-15-35-16-14-33/h1-3,5-10,17-18,30H,4,11-16H2,(H,29,34)(H,31,32)
InChIKeyWMTFXHFSJAESMU-UHFFFAOYSA-N
XLogP5.08
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.01
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[6-(2-Chloro-phenylamino)-1H-indazol-3-yl]-N-(2-dimethylamino-ethyl)-benzamide
CID 10151272
4-(6-(2-chlorophenylamino)-1H-indazol-3-yl)-N-(2-(dimethylamino)ethyl)benzamide
CID 10310219
3-[4-(4-hydroxypiperidin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indazole-5-carboxamide
CID 71550158
N-[cyclopropyl(phenyl)methyl]-3-(4-morpholin-4-ylphenyl)-1H-indazole-5-carboxamide
CID 89509657
N-(cyclopropyl(phenyl)methyl)-3-(3-morpholinophenyl)-1H-indazole-5-carboxamide
CID 89509697
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(4-morpholin-4-ylphenyl)-1H-indazole-5-carboxamide
CID 117738442
3-[4-(4-methylpiperazin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indazole-5-carboxamide
CID 117738670
N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-3-[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]-1H-indazole-5-carboxamide
CID 117751334
[2-(4-chlorophenyl)-4-methylpiperazin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone
CID 118879399
[3-(4-chlorophenyl)morpholin-4-yl]-(3-methyl-2H-indazol-5-yl)methanone
CID 118879442
3-[6-(2-Chloro-phenylamino)-1H-indazol-3-yl]-benzamide
CID 44404797
3-(6-(2-chlorophenylamino)-1H-indazol-3-yl)-N-(piperidin-4-yl)benzamide
CID 44404813

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-(3-morpholin-4-ylpropyl)benzamide (CID 10152189) is 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-(3-morpholin-4-ylpropyl)benzamide is O=C(NCCCN1CCOCC1)c1cccc(-c2n[nH]c3cc(Nc4ccccc4Cl)ccc23)c1.
What is the InChIKey of 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is WMTFXHFSJAESMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN5O2/c28-23-7-1-2-8-24(23)30-21-9-10-22-25(18-21)31-32-26(22)19-5-3-6-20(17-19)27(34)29-11-4-12-33-13-15-35-16-14-33/h1-3,5-10,17-18,30H,4,11-16H2,(H,29,34)(H,31,32).
What are the key properties of 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-(3-morpholin-4-ylpropyl)benzamide?
3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 490.01 g/mol, XLogP of 5.08, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 10152189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).