2-[[4-[(7-fluoro-1H-indazol-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]quinazolin-6-yl]amino]ethylazanium

C24H20F4N7+ — CID 142126848

IUPAC2-[[4-[(7-fluoro-1H-indazol-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]quinazolin-6-yl]amino]ethylazanium
SMILES[NH3+]CCNc1ccc2nc(-c3ccccc3C(F)(F)F)nc(Nc3n[nH]c4c(F)cccc34)c2c1
InChIInChI=1S/C24H19F4N7/c25-18-7-3-5-15-20(18)34-35-23(15)33-22-16-12-13(30-11-10-29)8-9-19(16)31-21(32-22)14-4-1-2-6-17(14)24(26,27)28/h1-9,12,30H,10-11,29H2,(H2,31,32,33,34,35)/p+1
InChIKeyCURKEQKGPDWWCE-UHFFFAOYSA-O
MW482.47 g/mol
LogP4.73
Rot. Bonds6

About 2-[[4-[(7-fluoro-1H-indazol-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]quinazolin-6-yl]amino]ethylazanium

2-[[4-[(7-fluoro-1H-indazol-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]quinazolin-6-yl]amino]ethylazanium (PubChem CID 142126848) has the molecular formula C24H20F4N7+ and a molecular weight of 482.47 g/mol. Its IUPAC name is 2-[[4-[(7-fluoro-1H-indazol-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]quinazolin-6-yl]amino]ethylazanium.

Molecular Properties

Compound Name2-[[4-[(7-fluoro-1H-indazol-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]quinazolin-6-yl]amino]ethylazanium
PubChem CID142126848
Molecular FormulaC24H20F4N7+
Molecular Weight482.47 g/mol
Exact Mass482.17
IUPAC Name2-[[4-[(7-fluoro-1H-indazol-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]quinazolin-6-yl]amino]ethylazanium
SMILES[NH3+]CCNc1ccc2nc(-c3ccccc3C(F)(F)F)nc(Nc3n[nH]c4c(F)cccc34)c2c1
InChIInChI=1S/C24H19F4N7/c25-18-7-3-5-15-20(18)34-35-23(15)33-22-16-12-13(30-11-10-29)8-9-19(16)31-21(32-22)14-4-1-2-6-17(14)24(26,27)28/h1-9,12,30H,10-11,29H2,(H2,31,32,33,34,35)/p+1
InChIKeyCURKEQKGPDWWCE-UHFFFAOYSA-O
XLogP4.73
TPSA106.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.47
LogP ≤ 54.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[[4-[(7-fluoro-1H-indazol-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]quinazolin-6-yl]amino]ethylazanium with MolForge

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Related Compounds

N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 6419766
N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
CID 9998128
1[2(3Fluorophenyl)5H,6H,7H,8Hpyrazolo[3,2b]quinazolin9yl]piperazine (Inh 6)
CID 1441765
VU2957
CID 134191471
N-(5-tert-butyl-1H-pyrazol-3-yl)-8-fluoro-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine
CID 137552747
N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine
CID 138857395
N-(3-tert-butyl-1H-pyrazol-5-yl)-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine
CID 135397887
5-benzyl-8-fluoro-3-hydrazinyl-5H-[1,2,4]triazino[5,6-b]indole
CID 6401719
N-[2-(4-methylphenyl)ethyl]-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 16010788
N-(1,2-dimethyl-1H-benzimidazol-5-yl)-4-phenyl-1-phthalazinamine
CID 6403897
N2-methyl-N4-(5-methyl-1H-pyrazol-3-yl)-N2-phenylquinazoline-2,4-diamine
CID 9858715
2-N-[(4-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 9924438

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(7-fluoro-1H-indazol-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]quinazolin-6-yl]amino]ethylazanium?
The IUPAC name of 2-[[4-[(7-fluoro-1H-indazol-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]quinazolin-6-yl]amino]ethylazanium (CID 142126848) is 2-[[4-[(7-fluoro-1H-indazol-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]quinazolin-6-yl]amino]ethylazanium.
What is the SMILES notation for 2-[[4-[(7-fluoro-1H-indazol-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]quinazolin-6-yl]amino]ethylazanium?
The canonical SMILES for 2-[[4-[(7-fluoro-1H-indazol-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]quinazolin-6-yl]amino]ethylazanium is [NH3+]CCNc1ccc2nc(-c3ccccc3C(F)(F)F)nc(Nc3n[nH]c4c(F)cccc34)c2c1.
What is the InChIKey of 2-[[4-[(7-fluoro-1H-indazol-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]quinazolin-6-yl]amino]ethylazanium?
The InChIKey is CURKEQKGPDWWCE-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H19F4N7/c25-18-7-3-5-15-20(18)34-35-23(15)33-22-16-12-13(30-11-10-29)8-9-19(16)31-21(32-22)14-4-1-2-6-17(14)24(26,27)28/h1-9,12,30H,10-11,29H2,(H2,31,32,33,34,35)/p+1.
What are the key properties of 2-[[4-[(7-fluoro-1H-indazol-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]quinazolin-6-yl]amino]ethylazanium?
2-[[4-[(7-fluoro-1H-indazol-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]quinazolin-6-yl]amino]ethylazanium has a molecular weight of 482.47 g/mol, XLogP of 4.73, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(7-fluoro-1H-indazol-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]quinazolin-6-yl]amino]ethylazanium is sourced from PubChem (CID 142126848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).