N-(4-pyrrolidin-1-yl-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

C26H21F3N6 — CID 59065218

IUPACN-(4-pyrrolidin-1-yl-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESFC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3cccc(N4CCCC4)c23)c2ccccc2n1
InChIInChI=1S/C26H21F3N6/c27-26(28,29)18-10-3-1-8-16(18)23-30-19-11-4-2-9-17(19)24(31-23)32-25-22-20(33-34-25)12-7-13-21(22)35-14-5-6-15-35/h1-4,7-13H,5-6,14-15H2,(H2,30,31,32,33,34)
InChIKeyJQAPANBGJNHOOP-UHFFFAOYSA-N
MW474.49 g/mol
LogP6.54
Rot. Bonds4

About N-(4-pyrrolidin-1-yl-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

N-(4-pyrrolidin-1-yl-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 59065218) has the molecular formula C26H21F3N6 and a molecular weight of 474.49 g/mol. Its IUPAC name is N-(4-pyrrolidin-1-yl-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-pyrrolidin-1-yl-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
PubChem CID59065218
Molecular FormulaC26H21F3N6
Molecular Weight474.49 g/mol
Exact Mass474.18
IUPAC NameN-(4-pyrrolidin-1-yl-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESFC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3cccc(N4CCCC4)c23)c2ccccc2n1
InChIInChI=1S/C26H21F3N6/c27-26(28,29)18-10-3-1-8-16(18)23-30-19-11-4-2-9-17(19)24(31-23)32-25-22-20(33-34-25)12-7-13-21(22)35-14-5-6-15-35/h1-4,7-13H,5-6,14-15H2,(H2,30,31,32,33,34)
InChIKeyJQAPANBGJNHOOP-UHFFFAOYSA-N
XLogP6.54
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.49
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1H-pyrazolo[3,4-b]quinolin-3-amine
CID 667632
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 6419766
VU2957
CID 134191471
N-(5-tert-butyl-1H-pyrazol-3-yl)-8-fluoro-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine
CID 137552747
Indazole-benzimidazole, 11
CID 135928478
N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine
CID 138857395
(4-(3-(4-(4-methylpiperazin-1-yl)-1H-benzo[d]imidazol-2-yl)-1H-indazol-6-yl)phenyl)methanamine
CID 135928480
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
N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylquinazolin-4-amine
CID 9946460

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrolidin-1-yl-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The IUPAC name of N-(4-pyrrolidin-1-yl-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (CID 59065218) is N-(4-pyrrolidin-1-yl-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for N-(4-pyrrolidin-1-yl-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for N-(4-pyrrolidin-1-yl-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3cccc(N4CCCC4)c23)c2ccccc2n1.
What is the InChIKey of N-(4-pyrrolidin-1-yl-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The InChIKey is JQAPANBGJNHOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N6/c27-26(28,29)18-10-3-1-8-16(18)23-30-19-11-4-2-9-17(19)24(31-23)32-25-22-20(33-34-25)12-7-13-21(22)35-14-5-6-15-35/h1-4,7-13H,5-6,14-15H2,(H2,30,31,32,33,34).
What are the key properties of N-(4-pyrrolidin-1-yl-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
N-(4-pyrrolidin-1-yl-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine has a molecular weight of 474.49 g/mol, XLogP of 6.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrolidin-1-yl-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 59065218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).