4-(4-hydroxypiperidin-1-yl)-N-[1-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]indazol-5-yl]benzamide

C32H36N6O4 — CID 67112996

IUPAC4-(4-hydroxypiperidin-1-yl)-N-[1-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]indazol-5-yl]benzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(-n2ncc3cc(NC(=O)c4ccc(N5CCC(O)CC5)cc4)ccc32)cc1
InChIInChI=1S/C32H36N6O4/c39-29-11-14-37(15-12-29)27-6-1-24(2-7-27)32(41)35-26-5-10-30-25(21-26)22-34-38(30)28-8-3-23(4-9-28)31(40)33-13-16-36-17-19-42-20-18-36/h1-10,21-22,29,39H,11-20H2,(H,33,40)(H,35,41)
InChIKeyTWYMNOCZIFJGBI-UHFFFAOYSA-N
MW568.68 g/mol
LogP3.30
Rot. Bonds8

About 4-(4-hydroxypiperidin-1-yl)-N-[1-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]indazol-5-yl]benzamide

4-(4-hydroxypiperidin-1-yl)-N-[1-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]indazol-5-yl]benzamide (PubChem CID 67112996) has the molecular formula C32H36N6O4 and a molecular weight of 568.68 g/mol. Its IUPAC name is 4-(4-hydroxypiperidin-1-yl)-N-[1-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]indazol-5-yl]benzamide.

Molecular Properties

Compound Name4-(4-hydroxypiperidin-1-yl)-N-[1-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]indazol-5-yl]benzamide
PubChem CID67112996
Molecular FormulaC32H36N6O4
Molecular Weight568.68 g/mol
Exact Mass568.28
IUPAC Name4-(4-hydroxypiperidin-1-yl)-N-[1-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]indazol-5-yl]benzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(-n2ncc3cc(NC(=O)c4ccc(N5CCC(O)CC5)cc4)ccc32)cc1
InChIInChI=1S/C32H36N6O4/c39-29-11-14-37(15-12-29)27-6-1-24(2-7-27)32(41)35-26-5-10-30-25(21-26)22-34-38(30)28-8-3-23(4-9-28)31(40)33-13-16-36-17-19-42-20-18-36/h1-10,21-22,29,39H,11-20H2,(H,33,40)(H,35,41)
InChIKeyTWYMNOCZIFJGBI-UHFFFAOYSA-N
XLogP3.30
TPSA111.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.68
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-(4-hydroxypiperidin-1-yl)-N-[1-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]indazol-5-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[4-(cyclopropylmethylcarbamoyl)phenyl]indazol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67113684
N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide
CID 67114039
N-[4-(5-hydroxyindazol-1-yl)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67113330
N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridazine-4-carboxamide
CID 67113553
N-[1-[4-(3-cyclopropylpropanoyl)phenyl]indazol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 147606537
N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 123742997
N-benzyl-4-[5-[4-(4-hydroxypiperidin-1-yl)anilino]indazol-1-yl]benzamide
CID 67113104
N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-N-methyl-1H-indole-5-carboxamide
CID 123783407
N-[1-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]indazol-5-yl]-4-morpholin-4-ylbenzamide
CID 67113374
tert-butyl 2-[5-[[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]benzoyl]amino]indol-1-yl]acetate
CID 67687189
N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 67686823
3-[5-(3-methylanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 117075307

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypiperidin-1-yl)-N-[1-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]indazol-5-yl]benzamide?
The IUPAC name of 4-(4-hydroxypiperidin-1-yl)-N-[1-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]indazol-5-yl]benzamide (CID 67112996) is 4-(4-hydroxypiperidin-1-yl)-N-[1-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]indazol-5-yl]benzamide.
What is the SMILES notation for 4-(4-hydroxypiperidin-1-yl)-N-[1-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]indazol-5-yl]benzamide?
The canonical SMILES for 4-(4-hydroxypiperidin-1-yl)-N-[1-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]indazol-5-yl]benzamide is O=C(NCCN1CCOCC1)c1ccc(-n2ncc3cc(NC(=O)c4ccc(N5CCC(O)CC5)cc4)ccc32)cc1.
What is the InChIKey of 4-(4-hydroxypiperidin-1-yl)-N-[1-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]indazol-5-yl]benzamide?
The InChIKey is TWYMNOCZIFJGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N6O4/c39-29-11-14-37(15-12-29)27-6-1-24(2-7-27)32(41)35-26-5-10-30-25(21-26)22-34-38(30)28-8-3-23(4-9-28)31(40)33-13-16-36-17-19-42-20-18-36/h1-10,21-22,29,39H,11-20H2,(H,33,40)(H,35,41).
What are the key properties of 4-(4-hydroxypiperidin-1-yl)-N-[1-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]indazol-5-yl]benzamide?
4-(4-hydroxypiperidin-1-yl)-N-[1-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]indazol-5-yl]benzamide has a molecular weight of 568.68 g/mol, XLogP of 3.30, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypiperidin-1-yl)-N-[1-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]indazol-5-yl]benzamide is sourced from PubChem (CID 67112996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).