N-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-3-(trifluoromethyl)benzamide

C24H20F3N5O2 — CID 122196200

IUPACN-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-3-(trifluoromethyl)benzamide
SMILESNc1n[nH]c2cccc(-c3ccc(C(=O)NCCNC(=O)c4cccc(C(F)(F)F)c4)cc3)c12
InChIInChI=1S/C24H20F3N5O2/c25-24(26,27)17-4-1-3-16(13-17)23(34)30-12-11-29-22(33)15-9-7-14(8-10-15)18-5-2-6-19-20(18)21(28)32-31-19/h1-10,13H,11-12H2,(H,29,33)(H,30,34)(H3,28,31,32)
InChIKeyVXPRMSHSUFWMNM-UHFFFAOYSA-N
MW467.45 g/mol
LogP3.99
Rot. Bonds6

About N-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-3-(trifluoromethyl)benzamide

N-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 122196200) has the molecular formula C24H20F3N5O2 and a molecular weight of 467.45 g/mol. Its IUPAC name is N-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-3-(trifluoromethyl)benzamide
PubChem CID122196200
Molecular FormulaC24H20F3N5O2
Molecular Weight467.45 g/mol
Exact Mass467.16
IUPAC NameN-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-3-(trifluoromethyl)benzamide
SMILESNc1n[nH]c2cccc(-c3ccc(C(=O)NCCNC(=O)c4cccc(C(F)(F)F)c4)cc3)c12
InChIInChI=1S/C24H20F3N5O2/c25-24(26,27)17-4-1-3-16(13-17)23(34)30-12-11-29-22(33)15-9-7-14(8-10-15)18-5-2-6-19-20(18)21(28)32-31-19/h1-10,13H,11-12H2,(H,29,33)(H,30,34)(H3,28,31,32)
InChIKeyVXPRMSHSUFWMNM-UHFFFAOYSA-N
XLogP3.99
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.45
LogP ≤ 53.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Kw-2449
CID 11427553
N-[4-(3-amino-1H-indazol-4-yl)phenyl]benzamide
CID 16125109
(3-Amino-1h-Indazol-5-Yl)[(2s)-2-(4-Fluorophenyl)piperidin-1-Yl]methanone
CID 118879516
N-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(3-(methylamino)-1H-indazol-6-yl)benzamide
CID 70682038
3-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 70690444
3-(3-amino-1H-indazol-6-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 70690446
N-[1-[4-(3-amino-1H-indazol-6-yl)-6-oxo-1H-pyridin-2-yl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide
CID 11496743
3-amino-N-[3-[[(3,4-difluorophenyl)carbamoylamino]methyl]phenyl]-1H-indazole-4-carboxamide
CID 25174496
3-amino-1-methyl-N-[3-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]indazole-4-carboxamide
CID 25175157
3-amino-N-[3-[[(3-fluorophenyl)carbamoylamino]methyl]phenyl]-1-methylindazole-4-carboxamide
CID 25175326
N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 25175712
N-[1-[3-(3-amino-1H-indazol-6-yl)phenyl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide
CID 25252725

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-3-(trifluoromethyl)benzamide (CID 122196200) is N-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-3-(trifluoromethyl)benzamide is Nc1n[nH]c2cccc(-c3ccc(C(=O)NCCNC(=O)c4cccc(C(F)(F)F)c4)cc3)c12.
What is the InChIKey of N-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is VXPRMSHSUFWMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O2/c25-24(26,27)17-4-1-3-16(13-17)23(34)30-12-11-29-22(33)15-9-7-14(8-10-15)18-5-2-6-19-20(18)21(28)32-31-19/h1-10,13H,11-12H2,(H,29,33)(H,30,34)(H3,28,31,32).
What are the key properties of N-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-3-(trifluoromethyl)benzamide?
N-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 467.45 g/mol, XLogP of 3.99, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 122196200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).