N-[4-[5-[[4-(dimethylamino)benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide

C27H23N5O2S — CID 71040947

IUPACN-[4-[5-[[4-(dimethylamino)benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc3c(cnn3-c3ccc(NC(=O)c4cccs4)cc3)c2)cc1
InChIInChI=1S/C27H23N5O2S/c1-31(2)22-10-5-18(6-11-22)26(33)30-21-9-14-24-19(16-21)17-28-32(24)23-12-7-20(8-13-23)29-27(34)25-4-3-15-35-25/h3-17H,1-2H3,(H,29,34)(H,30,33)
InChIKeyFZHRUSZLWHYILR-UHFFFAOYSA-N
MW481.58 g/mol
LogP5.66
Rot. Bonds6

About N-[4-[5-[[4-(dimethylamino)benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide

N-[4-[5-[[4-(dimethylamino)benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide (PubChem CID 71040947) has the molecular formula C27H23N5O2S and a molecular weight of 481.58 g/mol. Its IUPAC name is N-[4-[5-[[4-(dimethylamino)benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-[[4-(dimethylamino)benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide
PubChem CID71040947
Molecular FormulaC27H23N5O2S
Molecular Weight481.58 g/mol
Exact Mass481.16
IUPAC NameN-[4-[5-[[4-(dimethylamino)benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc3c(cnn3-c3ccc(NC(=O)c4cccs4)cc3)c2)cc1
InChIInChI=1S/C27H23N5O2S/c1-31(2)22-10-5-18(6-11-22)26(33)30-21-9-14-24-19(16-21)17-28-32(24)23-12-7-20(8-13-23)29-27(34)25-4-3-15-35-25/h3-17H,1-2H3,(H,29,34)(H,30,33)
InChIKeyFZHRUSZLWHYILR-UHFFFAOYSA-N
XLogP5.66
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.58
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[4-[[4-[3-(dimethylamino)pyrrolidin-1-yl]benzoyl]amino]phenyl]indazol-5-yl]thiophene-2-carboxamide
CID 67113207
N-[4-[5-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide
CID 67113281
tert-butyl N-[1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]indazol-5-yl]carbamate
CID 67686467
N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide
CID 67114039
N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-N-methyl-1H-indole-5-carboxamide
CID 123783407
N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 123742997
N-[4-[(N-methylanilino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 9480193
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
N,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide;hydrochloride
CID 146120934
3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoic acid
CID 91433209
N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]thiophene-2-carboxamide
CID 3013324
N-[4-[[4-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 9450376

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[[4-(dimethylamino)benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[5-[[4-(dimethylamino)benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide (CID 71040947) is N-[4-[5-[[4-(dimethylamino)benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[5-[[4-(dimethylamino)benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[5-[[4-(dimethylamino)benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide is CN(C)c1ccc(C(=O)Nc2ccc3c(cnn3-c3ccc(NC(=O)c4cccs4)cc3)c2)cc1.
What is the InChIKey of N-[4-[5-[[4-(dimethylamino)benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is FZHRUSZLWHYILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O2S/c1-31(2)22-10-5-18(6-11-22)26(33)30-21-9-14-24-19(16-21)17-28-32(24)23-12-7-20(8-13-23)29-27(34)25-4-3-15-35-25/h3-17H,1-2H3,(H,29,34)(H,30,33).
What are the key properties of N-[4-[5-[[4-(dimethylamino)benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide?
N-[4-[5-[[4-(dimethylamino)benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 481.58 g/mol, XLogP of 5.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[[4-(dimethylamino)benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 71040947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).