tert-butyl N-[1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]indazol-5-yl]carbamate

C27H29N5O3 — CID 67686467

IUPACtert-butyl N-[1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]indazol-5-yl]carbamate
SMILESCN(C)c1ccc(C(=O)Nc2ccc(-n3ncc4cc(NC(=O)OC(C)(C)C)ccc43)cc2)cc1
InChIInChI=1S/C27H29N5O3/c1-27(2,3)35-26(34)30-21-10-15-24-19(16-21)17-28-32(24)23-13-8-20(9-14-23)29-25(33)18-6-11-22(12-7-18)31(4)5/h6-17H,1-5H3,(H,29,33)(H,30,34)
InChIKeyYVBKLHHRXRRTOM-UHFFFAOYSA-N
MW471.56 g/mol
LogP5.69
Rot. Bonds5

About tert-butyl N-[1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]indazol-5-yl]carbamate

tert-butyl N-[1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]indazol-5-yl]carbamate (PubChem CID 67686467) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is tert-butyl N-[1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]indazol-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]indazol-5-yl]carbamate
PubChem CID67686467
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC Nametert-butyl N-[1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]indazol-5-yl]carbamate
SMILESCN(C)c1ccc(C(=O)Nc2ccc(-n3ncc4cc(NC(=O)OC(C)(C)C)ccc43)cc2)cc1
InChIInChI=1S/C27H29N5O3/c1-27(2,3)35-26(34)30-21-10-15-24-19(16-21)17-28-32(24)23-13-8-20(9-14-23)29-25(33)18-6-11-22(12-7-18)31(4)5/h6-17H,1-5H3,(H,29,33)(H,30,34)
InChIKeyYVBKLHHRXRRTOM-UHFFFAOYSA-N
XLogP5.69
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]indazol-5-yl]carbamate 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-[4-[5-[[4-(dimethylamino)benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide
CID 71040947
tert-butyl 2-[5-[[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]benzoyl]amino]indol-1-yl]acetate
CID 67687189
N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide
CID 67114039
tert-butyl N-[3-[4-[[4-(dimethylamino)benzoyl]amino]anilino]-3-oxopropyl]carbamate
CID 108919913
tert-butyl N-[4-[[4-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoyl]phenyl]carbamoyl]phenyl]carbamate
CID 67687065
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
3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoic acid
CID 91433209
N-[1-[4-[[4-[3-(dimethylamino)pyrrolidin-1-yl]benzoyl]amino]phenyl]indazol-5-yl]thiophene-2-carboxamide
CID 67113207
N-[1-[4-(cyclopropylmethylcarbamoyl)phenyl]indazol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67113684
tert-butyl N-[4-fluoro-3-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate
CID 166186575
tert-butyl N-[3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-methylphenyl]carbamate
CID 71910266

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]indazol-5-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]indazol-5-yl]carbamate (CID 67686467) is tert-butyl N-[1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]indazol-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]indazol-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]indazol-5-yl]carbamate is CN(C)c1ccc(C(=O)Nc2ccc(-n3ncc4cc(NC(=O)OC(C)(C)C)ccc43)cc2)cc1.
What is the InChIKey of tert-butyl N-[1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]indazol-5-yl]carbamate?
The InChIKey is YVBKLHHRXRRTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-27(2,3)35-26(34)30-21-10-15-24-19(16-21)17-28-32(24)23-13-8-20(9-14-23)29-25(33)18-6-11-22(12-7-18)31(4)5/h6-17H,1-5H3,(H,29,33)(H,30,34).
What are the key properties of tert-butyl N-[1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]indazol-5-yl]carbamate?
tert-butyl N-[1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]indazol-5-yl]carbamate has a molecular weight of 471.56 g/mol, XLogP of 5.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]indazol-5-yl]carbamate is sourced from PubChem (CID 67686467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).