N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-N-methylthiophene-2-carboxamide

C23H23N5O2S — CID 23571029

IUPACN-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)c1n[nH]c2ccc(NC(=O)C(CCN)c3ccccc3)cc12
InChIInChI=1S/C23H23N5O2S/c1-28(23(30)20-8-5-13-31-20)21-18-14-16(9-10-19(18)26-27-21)25-22(29)17(11-12-24)15-6-3-2-4-7-15/h2-10,13-14,17H,11-12,24H2,1H3,(H,25,29)(H,26,27)
InChIKeyVTMASVUXCROPJX-UHFFFAOYSA-N
MW433.54 g/mol
LogP3.97
Rot. Bonds7

About N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-N-methylthiophene-2-carboxamide

N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-N-methylthiophene-2-carboxamide (PubChem CID 23571029) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-N-methylthiophene-2-carboxamide
PubChem CID23571029
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC NameN-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)c1n[nH]c2ccc(NC(=O)C(CCN)c3ccccc3)cc12
InChIInChI=1S/C23H23N5O2S/c1-28(23(30)20-8-5-13-31-20)21-18-14-16(9-10-19(18)26-27-21)25-22(29)17(11-12-24)15-6-3-2-4-7-15/h2-10,13-14,17H,11-12,24H2,1H3,(H,25,29)(H,26,27)
InChIKeyVTMASVUXCROPJX-UHFFFAOYSA-N
XLogP3.97
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1-methylpyrrole-2-carboxamide
CID 23571019
N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,2-oxazole-3-carboxamide
CID 23571026
4-amino-2-(3,4-dichlorophenyl)-N-[3-(phenylcarbamoylamino)-1H-indazol-5-yl]butanamide
CID 10239139
5-(2-thiophen-2-ylpropanoylamino)-1H-indazole-3-carboxamide
CID 166187982
4-amino-2-(3,4-dichlorophenyl)-N-[3-(3-phenylanilino)-1H-indazol-5-yl]butanamide
CID 23570856
4-amino-2-(3,4-dimethylphenyl)-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]butanamide
CID 142270961
4-amino-N-[3-(4-bromoanilino)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide
CID 10152751
4-amino-N-cinnolin-6-yl-2-phenylbutanamide
CID 67950451
4-amino-2-(3-methoxyphenyl)-N-(3-methyl-2H-indazol-5-yl)butanamide
CID 23570880
4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethyl)anilino]-1H-indazol-5-yl]butanamide
CID 23570859
4-amino-2-phenyl-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)butanamide
CID 10171713
(2R)-2-(dimethylamino)-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
CID 67467310

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-N-methylthiophene-2-carboxamide (CID 23571029) is N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-N-methylthiophene-2-carboxamide is CN(C(=O)c1cccs1)c1n[nH]c2ccc(NC(=O)C(CCN)c3ccccc3)cc12.
What is the InChIKey of N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-N-methylthiophene-2-carboxamide?
The InChIKey is VTMASVUXCROPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-28(23(30)20-8-5-13-31-20)21-18-14-16(9-10-19(18)26-27-21)25-22(29)17(11-12-24)15-6-3-2-4-7-15/h2-10,13-14,17H,11-12,24H2,1H3,(H,25,29)(H,26,27).
What are the key properties of N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-N-methylthiophene-2-carboxamide?
N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-N-methylthiophene-2-carboxamide has a molecular weight of 433.54 g/mol, XLogP of 3.97, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 23571029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).