4-(5-bromothiophen-2-yl)-4-cyano-N-(1H-indazol-3-yl)piperidine-1-carboxamide

C18H16BrN5OS — CID 11212569

IUPAC4-(5-bromothiophen-2-yl)-4-cyano-N-(1H-indazol-3-yl)piperidine-1-carboxamide
SMILESN#CC1(c2ccc(Br)s2)CCN(C(=O)Nc2n[nH]c3ccccc23)CC1
InChIInChI=1S/C18H16BrN5OS/c19-15-6-5-14(26-15)18(11-20)7-9-24(10-8-18)17(25)21-16-12-3-1-2-4-13(12)22-23-16/h1-6H,7-10H2,(H2,21,22,23,25)
InChIKeyAAHFWMRAVLCVPU-UHFFFAOYSA-N
MW430.33 g/mol
LogP4.48
Rot. Bonds2

About 4-(5-bromothiophen-2-yl)-4-cyano-N-(1H-indazol-3-yl)piperidine-1-carboxamide

4-(5-bromothiophen-2-yl)-4-cyano-N-(1H-indazol-3-yl)piperidine-1-carboxamide (PubChem CID 11212569) has the molecular formula C18H16BrN5OS and a molecular weight of 430.33 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-4-cyano-N-(1H-indazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-4-cyano-N-(1H-indazol-3-yl)piperidine-1-carboxamide
PubChem CID11212569
Molecular FormulaC18H16BrN5OS
Molecular Weight430.33 g/mol
Exact Mass429.03
IUPAC Name4-(5-bromothiophen-2-yl)-4-cyano-N-(1H-indazol-3-yl)piperidine-1-carboxamide
SMILESN#CC1(c2ccc(Br)s2)CCN(C(=O)Nc2n[nH]c3ccccc23)CC1
InChIInChI=1S/C18H16BrN5OS/c19-15-6-5-14(26-15)18(11-20)7-9-24(10-8-18)17(25)21-16-12-3-1-2-4-13(12)22-23-16/h1-6H,7-10H2,(H2,21,22,23,25)
InChIKeyAAHFWMRAVLCVPU-UHFFFAOYSA-N
XLogP4.48
TPSA84.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.33
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(5-bromothiophen-2-yl)-4-cyano-N-(1H-indazol-3-yl)piperidine-1-carboxamide 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-(1H-indazol-3-yl)-4-thiophen-2-ylpiperazine-1-carboxamide
CID 11232683
N-(1H-indazol-3-yl)-4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 11267302
N-(1H-indazol-3-yl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxamide
CID 11268067
4-(5-chlorothiophen-2-yl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 11302820
N-(1H-indazol-3-yl)-4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 11427729
1-(3-amino-1H-indazol-5-yl)-3-[(5-bromothiophen-2-yl)methyl]urea
CID 25010043
N-(6-thiophen-3-yl-1H-indazol-3-yl)piperidine-1-carboxamide
CID 57980018
1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(2-thiophen-2-ylethyl)urea
CID 58135454
3-methyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperidine-1-carboxamide
CID 69057728
4-benzyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperidine-1-carboxamide
CID 69059153
4-methyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperidine-1-carboxamide
CID 69060376
4-methyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperazine-1-carboxamide
CID 69063521

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-4-cyano-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(5-bromothiophen-2-yl)-4-cyano-N-(1H-indazol-3-yl)piperidine-1-carboxamide (CID 11212569) is 4-(5-bromothiophen-2-yl)-4-cyano-N-(1H-indazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-4-cyano-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-4-cyano-N-(1H-indazol-3-yl)piperidine-1-carboxamide is N#CC1(c2ccc(Br)s2)CCN(C(=O)Nc2n[nH]c3ccccc23)CC1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-4-cyano-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
The InChIKey is AAHFWMRAVLCVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN5OS/c19-15-6-5-14(26-15)18(11-20)7-9-24(10-8-18)17(25)21-16-12-3-1-2-4-13(12)22-23-16/h1-6H,7-10H2,(H2,21,22,23,25).
What are the key properties of 4-(5-bromothiophen-2-yl)-4-cyano-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
4-(5-bromothiophen-2-yl)-4-cyano-N-(1H-indazol-3-yl)piperidine-1-carboxamide has a molecular weight of 430.33 g/mol, XLogP of 4.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-4-cyano-N-(1H-indazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 11212569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).