N-[3-(4-aminophenyl)-1H-indazol-6-yl]-4-(4-hydroxypiperidin-1-yl)benzamide

C25H25N5O2 — CID 67112950

IUPACN-[3-(4-aminophenyl)-1H-indazol-6-yl]-4-(4-hydroxypiperidin-1-yl)benzamide
SMILESNc1ccc(-c2n[nH]c3cc(NC(=O)c4ccc(N5CCC(O)CC5)cc4)ccc23)cc1
InChIInChI=1S/C25H25N5O2/c26-18-5-1-16(2-6-18)24-22-10-7-19(15-23(22)28-29-24)27-25(32)17-3-8-20(9-4-17)30-13-11-21(31)12-14-30/h1-10,15,21,31H,11-14,26H2,(H,27,32)(H,28,29)
InChIKeyNJKGGRJOQWWYMW-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.03
Rot. Bonds4

About N-[3-(4-aminophenyl)-1H-indazol-6-yl]-4-(4-hydroxypiperidin-1-yl)benzamide

N-[3-(4-aminophenyl)-1H-indazol-6-yl]-4-(4-hydroxypiperidin-1-yl)benzamide (PubChem CID 67112950) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[3-(4-aminophenyl)-1H-indazol-6-yl]-4-(4-hydroxypiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-(4-aminophenyl)-1H-indazol-6-yl]-4-(4-hydroxypiperidin-1-yl)benzamide
PubChem CID67112950
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC NameN-[3-(4-aminophenyl)-1H-indazol-6-yl]-4-(4-hydroxypiperidin-1-yl)benzamide
SMILESNc1ccc(-c2n[nH]c3cc(NC(=O)c4ccc(N5CCC(O)CC5)cc4)ccc23)cc1
InChIInChI=1S/C25H25N5O2/c26-18-5-1-16(2-6-18)24-22-10-7-19(15-23(22)28-29-24)27-25(32)17-3-8-20(9-4-17)30-13-11-21(31)12-14-30/h1-10,15,21,31H,11-14,26H2,(H,27,32)(H,28,29)
InChIKeyNJKGGRJOQWWYMW-UHFFFAOYSA-N
XLogP4.03
TPSA107.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-aminoanilino)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67112995
N-[4-(4-amino-2-fluoroanilino)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67112608
N-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331512
N-[4-[2-chloro-4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67114493
N-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 110000274
N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 67114587
N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-1H-pyrrole-3-carboxamide
CID 67114265
4-(4-hydroxypiperidin-1-yl)-N-(4-methoxy-3-methylphenyl)benzamide
CID 111331962
4-amino-N-(7-amino-9H-carbazol-2-yl)benzamide
CID 163961867
N-(2-amino-5-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 167931145
N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyridine-2-carboxamide
CID 67112599
4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]-N-[3-(1H-indol-6-ylamino)-3-oxopropyl]benzamide
CID 67113560

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminophenyl)-1H-indazol-6-yl]-4-(4-hydroxypiperidin-1-yl)benzamide?
The IUPAC name of N-[3-(4-aminophenyl)-1H-indazol-6-yl]-4-(4-hydroxypiperidin-1-yl)benzamide (CID 67112950) is N-[3-(4-aminophenyl)-1H-indazol-6-yl]-4-(4-hydroxypiperidin-1-yl)benzamide.
What is the SMILES notation for N-[3-(4-aminophenyl)-1H-indazol-6-yl]-4-(4-hydroxypiperidin-1-yl)benzamide?
The canonical SMILES for N-[3-(4-aminophenyl)-1H-indazol-6-yl]-4-(4-hydroxypiperidin-1-yl)benzamide is Nc1ccc(-c2n[nH]c3cc(NC(=O)c4ccc(N5CCC(O)CC5)cc4)ccc23)cc1.
What is the InChIKey of N-[3-(4-aminophenyl)-1H-indazol-6-yl]-4-(4-hydroxypiperidin-1-yl)benzamide?
The InChIKey is NJKGGRJOQWWYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c26-18-5-1-16(2-6-18)24-22-10-7-19(15-23(22)28-29-24)27-25(32)17-3-8-20(9-4-17)30-13-11-21(31)12-14-30/h1-10,15,21,31H,11-14,26H2,(H,27,32)(H,28,29).
What are the key properties of N-[3-(4-aminophenyl)-1H-indazol-6-yl]-4-(4-hydroxypiperidin-1-yl)benzamide?
N-[3-(4-aminophenyl)-1H-indazol-6-yl]-4-(4-hydroxypiperidin-1-yl)benzamide has a molecular weight of 427.51 g/mol, XLogP of 4.03, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminophenyl)-1H-indazol-6-yl]-4-(4-hydroxypiperidin-1-yl)benzamide is sourced from PubChem (CID 67112950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).