N-[5-[(4-formylpiperazin-1-yl)methyl]-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide

C27H27N5O2S — CID 91540732

IUPACN-[5-[(4-formylpiperazin-1-yl)methyl]-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cc(CN2CCN(C=O)CC2)ccc1C=Cc1n[nH]c2ccccc12
InChIInChI=1S/C27H27N5O2S/c1-19-10-15-35-26(19)27(34)28-25-16-20(17-31-11-13-32(18-33)14-12-31)6-7-21(25)8-9-24-22-4-2-3-5-23(22)29-30-24/h2-10,15-16,18H,11-14,17H2,1H3,(H,28,34)(H,29,30)
InChIKeyFWWZJBUGQMHQDT-UHFFFAOYSA-N
MW485.61 g/mol
LogP4.63
Rot. Bonds7

About N-[5-[(4-formylpiperazin-1-yl)methyl]-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide

N-[5-[(4-formylpiperazin-1-yl)methyl]-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide (PubChem CID 91540732) has the molecular formula C27H27N5O2S and a molecular weight of 485.61 g/mol. Its IUPAC name is N-[5-[(4-formylpiperazin-1-yl)methyl]-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-formylpiperazin-1-yl)methyl]-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide
PubChem CID91540732
Molecular FormulaC27H27N5O2S
Molecular Weight485.61 g/mol
Exact Mass485.19
IUPAC NameN-[5-[(4-formylpiperazin-1-yl)methyl]-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cc(CN2CCN(C=O)CC2)ccc1C=Cc1n[nH]c2ccccc12
InChIInChI=1S/C27H27N5O2S/c1-19-10-15-35-26(19)27(34)28-25-16-20(17-31-11-13-32(18-33)14-12-31)6-7-21(25)8-9-24-22-4-2-3-5-23(22)29-30-24/h2-10,15-16,18H,11-14,17H2,1H3,(H,28,34)(H,29,30)
InChIKeyFWWZJBUGQMHQDT-UHFFFAOYSA-N
XLogP4.63
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[5-[(4-formylpiperazin-1-yl)methyl]-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-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-[5-[[4-(2-hydroxyethyl)piperidin-1-yl]methyl]-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide
CID 69001985
4-[(E)-2-(1H-indazol-3-yl)ethenyl]-3-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
CID 68999288
N-[5-[[2-(diethylamino)ethylamino]methyl]-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide
CID 69000825
N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(4-methylpiperazin-1-yl)phenyl]-3-methylthiophene-2-carboxamide
CID 69002452
N-[5-(4-acetamidopiperidine-1-carbonyl)-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide
CID 68997012
N-[5-(3-aminopyrrolidine-1-carbonyl)-2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide;hydrochloride
CID 69002631
N-[5-[2-(diethylamino)ethylcarbamoyl]-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide
CID 68997015
N-[5-(2,6-dimethylmorpholine-4-carbonyl)-2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide;hydrochloride
CID 68999100
N-[2-[2-(1H-indazol-3-yl)ethenyl]-5-[4-(pyrrolidine-2-carbonyl)piperazine-1-carbonyl]phenyl]-3-methylthiophene-2-carboxamide
CID 69002694
N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-3-methylthiophene-2-carboxamide
CID 69001751
N-[2-(3-hydroxy-1-piperidin-1-ylpropyl)-4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide
CID 174531215
N-[3-[3-[(3R)-3-aminopyrrolidin-1-yl]propoxy]-6-[2-(1H-indazol-3-yl)ethenyl]-2-methoxyphenyl]-3-methylthiophene-2-carboxamide
CID 69002602

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-formylpiperazin-1-yl)methyl]-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[5-[(4-formylpiperazin-1-yl)methyl]-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide (CID 91540732) is N-[5-[(4-formylpiperazin-1-yl)methyl]-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[5-[(4-formylpiperazin-1-yl)methyl]-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[5-[(4-formylpiperazin-1-yl)methyl]-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1cc(CN2CCN(C=O)CC2)ccc1C=Cc1n[nH]c2ccccc12.
What is the InChIKey of N-[5-[(4-formylpiperazin-1-yl)methyl]-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide?
The InChIKey is FWWZJBUGQMHQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2S/c1-19-10-15-35-26(19)27(34)28-25-16-20(17-31-11-13-32(18-33)14-12-31)6-7-21(25)8-9-24-22-4-2-3-5-23(22)29-30-24/h2-10,15-16,18H,11-14,17H2,1H3,(H,28,34)(H,29,30).
What are the key properties of N-[5-[(4-formylpiperazin-1-yl)methyl]-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide?
N-[5-[(4-formylpiperazin-1-yl)methyl]-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide has a molecular weight of 485.61 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-formylpiperazin-1-yl)methyl]-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 91540732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).