4-(4-hydroxypiperidin-1-yl)-N-[1-(4-indol-1-ylphenyl)indazol-5-yl]benzamide

C33H29N5O2 — CID 141334501

IUPAC4-(4-hydroxypiperidin-1-yl)-N-[1-(4-indol-1-ylphenyl)indazol-5-yl]benzamide
SMILESO=C(Nc1ccc2c(cnn2-c2ccc(-n3ccc4ccccc43)cc2)c1)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C33H29N5O2/c39-30-16-18-36(19-17-30)27-8-5-24(6-9-27)33(40)35-26-7-14-32-25(21-26)22-34-38(32)29-12-10-28(11-13-29)37-20-15-23-3-1-2-4-31(23)37/h1-15,20-22,30,39H,16-19H2,(H,35,40)
InChIKeyIPYFBLHQWWQYHB-UHFFFAOYSA-N
MW527.63 g/mol
LogP6.18
Rot. Bonds5

About 4-(4-hydroxypiperidin-1-yl)-N-[1-(4-indol-1-ylphenyl)indazol-5-yl]benzamide

4-(4-hydroxypiperidin-1-yl)-N-[1-(4-indol-1-ylphenyl)indazol-5-yl]benzamide (PubChem CID 141334501) has the molecular formula C33H29N5O2 and a molecular weight of 527.63 g/mol. Its IUPAC name is 4-(4-hydroxypiperidin-1-yl)-N-[1-(4-indol-1-ylphenyl)indazol-5-yl]benzamide.

Molecular Properties

Compound Name4-(4-hydroxypiperidin-1-yl)-N-[1-(4-indol-1-ylphenyl)indazol-5-yl]benzamide
PubChem CID141334501
Molecular FormulaC33H29N5O2
Molecular Weight527.63 g/mol
Exact Mass527.23
IUPAC Name4-(4-hydroxypiperidin-1-yl)-N-[1-(4-indol-1-ylphenyl)indazol-5-yl]benzamide
SMILESO=C(Nc1ccc2c(cnn2-c2ccc(-n3ccc4ccccc43)cc2)c1)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C33H29N5O2/c39-30-16-18-36(19-17-30)27-8-5-24(6-9-27)33(40)35-26-7-14-32-25(21-26)22-34-38(32)29-12-10-28(11-13-29)37-20-15-23-3-1-2-4-31(23)37/h1-15,20-22,30,39H,16-19H2,(H,35,40)
InChIKeyIPYFBLHQWWQYHB-UHFFFAOYSA-N
XLogP6.18
TPSA75.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.63
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-(cyclopropylmethylcarbamoyl)phenyl]indazol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67113684
N-[1-[4-(3-cyclopropylpropanoyl)phenyl]indazol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 147606537
4-(4-hydroxypiperidin-1-yl)-N-[1-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]indazol-5-yl]benzamide
CID 67112996
N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 123742997
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-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
4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]indol-5-yl]benzamide
CID 86674028
1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]indole-6-carboxamide
CID 174703326

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypiperidin-1-yl)-N-[1-(4-indol-1-ylphenyl)indazol-5-yl]benzamide?
The IUPAC name of 4-(4-hydroxypiperidin-1-yl)-N-[1-(4-indol-1-ylphenyl)indazol-5-yl]benzamide (CID 141334501) is 4-(4-hydroxypiperidin-1-yl)-N-[1-(4-indol-1-ylphenyl)indazol-5-yl]benzamide.
What is the SMILES notation for 4-(4-hydroxypiperidin-1-yl)-N-[1-(4-indol-1-ylphenyl)indazol-5-yl]benzamide?
The canonical SMILES for 4-(4-hydroxypiperidin-1-yl)-N-[1-(4-indol-1-ylphenyl)indazol-5-yl]benzamide is O=C(Nc1ccc2c(cnn2-c2ccc(-n3ccc4ccccc43)cc2)c1)c1ccc(N2CCC(O)CC2)cc1.
What is the InChIKey of 4-(4-hydroxypiperidin-1-yl)-N-[1-(4-indol-1-ylphenyl)indazol-5-yl]benzamide?
The InChIKey is IPYFBLHQWWQYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N5O2/c39-30-16-18-36(19-17-30)27-8-5-24(6-9-27)33(40)35-26-7-14-32-25(21-26)22-34-38(32)29-12-10-28(11-13-29)37-20-15-23-3-1-2-4-31(23)37/h1-15,20-22,30,39H,16-19H2,(H,35,40).
What are the key properties of 4-(4-hydroxypiperidin-1-yl)-N-[1-(4-indol-1-ylphenyl)indazol-5-yl]benzamide?
4-(4-hydroxypiperidin-1-yl)-N-[1-(4-indol-1-ylphenyl)indazol-5-yl]benzamide has a molecular weight of 527.63 g/mol, XLogP of 6.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypiperidin-1-yl)-N-[1-(4-indol-1-ylphenyl)indazol-5-yl]benzamide is sourced from PubChem (CID 141334501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).