3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-(1-ethylpiperidin-3-yl)benzamide

C27H28ClN5O — CID 10151937

IUPAC3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-(1-ethylpiperidin-3-yl)benzamide
SMILESCCN1CCCC(NC(=O)c2cccc(-c3n[nH]c4cc(Nc5ccccc5Cl)ccc34)c2)C1
InChIInChI=1S/C27H28ClN5O/c1-2-33-14-6-9-21(17-33)30-27(34)19-8-5-7-18(15-19)26-22-13-12-20(16-25(22)31-32-26)29-24-11-4-3-10-23(24)28/h3-5,7-8,10-13,15-16,21,29H,2,6,9,14,17H2,1H3,(H,30,34)(H,31,32)
InChIKeyPSDFVOGZXFBEBX-UHFFFAOYSA-N
MW474.01 g/mol
LogP5.84
Rot. Bonds6

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

3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-(1-ethylpiperidin-3-yl)benzamide (PubChem CID 10151937) has the molecular formula C27H28ClN5O and a molecular weight of 474.01 g/mol. Its IUPAC name is 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-(1-ethylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-(1-ethylpiperidin-3-yl)benzamide
PubChem CID10151937
Molecular FormulaC27H28ClN5O
Molecular Weight474.01 g/mol
Exact Mass473.20
IUPAC Name3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-(1-ethylpiperidin-3-yl)benzamide
SMILESCCN1CCCC(NC(=O)c2cccc(-c3n[nH]c4cc(Nc5ccccc5Cl)ccc34)c2)C1
InChIInChI=1S/C27H28ClN5O/c1-2-33-14-6-9-21(17-33)30-27(34)19-8-5-7-18(15-19)26-22-13-12-20(16-25(22)31-32-26)29-24-11-4-3-10-23(24)28/h3-5,7-8,10-13,15-16,21,29H,2,6,9,14,17H2,1H3,(H,30,34)(H,31,32)
InChIKeyPSDFVOGZXFBEBX-UHFFFAOYSA-N
XLogP5.84
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.01
LogP ≤ 55.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[3-(dimethylamino)propyl]benzamide
CID 10151516
N-(1-ethylpiperidin-3-yl)-3-(4-oxochromen-7-yl)benzamide
CID 121497118
3-amino-4-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 61170156
N-(1-ethylpiperidin-3-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765277
2-amino-N-(1-ethylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide
CID 90978289
2-amino-6-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 55244136
3-(2-ethyl-4-pyridinyl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide
CID 56591375
N-[(3R)-1-ethylpiperidin-3-yl]-3-(tetrazol-1-yl)benzamide
CID 95296179
1-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-3-yl)urea
CID 47349344
N-(1-ethylpiperidin-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 61169040
N-(1-ethylpiperidin-3-yl)-2-(methylamino)pyridine-4-carboxamide
CID 62175971
5-amino-2-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 61170350

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-(1-ethylpiperidin-3-yl)benzamide?
The IUPAC name of 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-(1-ethylpiperidin-3-yl)benzamide (CID 10151937) is 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-(1-ethylpiperidin-3-yl)benzamide.
What is the SMILES notation for 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-(1-ethylpiperidin-3-yl)benzamide?
The canonical SMILES for 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-(1-ethylpiperidin-3-yl)benzamide is CCN1CCCC(NC(=O)c2cccc(-c3n[nH]c4cc(Nc5ccccc5Cl)ccc34)c2)C1.
What is the InChIKey of 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-(1-ethylpiperidin-3-yl)benzamide?
The InChIKey is PSDFVOGZXFBEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN5O/c1-2-33-14-6-9-21(17-33)30-27(34)19-8-5-7-18(15-19)26-22-13-12-20(16-25(22)31-32-26)29-24-11-4-3-10-23(24)28/h3-5,7-8,10-13,15-16,21,29H,2,6,9,14,17H2,1H3,(H,30,34)(H,31,32).
What are the key properties of 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-(1-ethylpiperidin-3-yl)benzamide?
3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-(1-ethylpiperidin-3-yl)benzamide has a molecular weight of 474.01 g/mol, XLogP of 5.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-(1-ethylpiperidin-3-yl)benzamide is sourced from PubChem (CID 10151937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).