N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-pyridin-2-ylimidazo[1,2-a]quinazolin-5-amine

C24H19F3N6 — CID 170554223

IUPACN-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-pyridin-2-ylimidazo[1,2-a]quinazolin-5-amine
SMILESC[C@@H](Nc1nc2nccn2c2ccc(-c3ccccn3)cc12)c1cc(N)cc(C(F)(F)F)c1
InChIInChI=1S/C24H19F3N6/c1-14(16-10-17(24(25,26)27)13-18(28)11-16)31-22-19-12-15(20-4-2-3-7-29-20)5-6-21(19)33-9-8-30-23(33)32-22/h2-14H,28H2,1H3,(H,30,31,32)/t14-/m1/s1
InChIKeyKHTUIZDXKNMZNQ-CQSZACIVSA-N
MW448.45 g/mol
LogP5.72
Rot. Bonds4

About N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-pyridin-2-ylimidazo[1,2-a]quinazolin-5-amine

N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-pyridin-2-ylimidazo[1,2-a]quinazolin-5-amine (PubChem CID 170554223) has the molecular formula C24H19F3N6 and a molecular weight of 448.45 g/mol. Its IUPAC name is N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-pyridin-2-ylimidazo[1,2-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-pyridin-2-ylimidazo[1,2-a]quinazolin-5-amine
PubChem CID170554223
Molecular FormulaC24H19F3N6
Molecular Weight448.45 g/mol
Exact Mass448.16
IUPAC NameN-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-pyridin-2-ylimidazo[1,2-a]quinazolin-5-amine
SMILESC[C@@H](Nc1nc2nccn2c2ccc(-c3ccccn3)cc12)c1cc(N)cc(C(F)(F)F)c1
InChIInChI=1S/C24H19F3N6/c1-14(16-10-17(24(25,26)27)13-18(28)11-16)31-22-19-12-15(20-4-2-3-7-29-20)5-6-21(19)33-9-8-30-23(33)32-22/h2-14H,28H2,1H3,(H,30,31,32)/t14-/m1/s1
InChIKeyKHTUIZDXKNMZNQ-CQSZACIVSA-N
XLogP5.72
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.45
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-pyridin-2-ylimidazo[1,2-a]quinazolin-5-amine 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-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-bromoimidazo[1,2-a]quinazolin-5-amine
CID 166476335
N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]quinazolin-5-amine
CID 170554206
[7-[1-[3-amino-5-(trifluoromethyl)phenyl]ethylamino]-1,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl]-(1-methoxycyclopropyl)methanone
CID 166476646
N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-bromoquinazolin-4-amine
CID 175277359
N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-dimethylphosphoryl-2-methylpyrido[2,3-d]pyrimidin-4-amine
CID 164897555
[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-pyridin-2-ylmethanone
CID 162762390
4-[1-[3-amino-5-(trifluoromethyl)phenyl]ethylamino]-6,7-dimethoxy-1H-quinazolin-2-one
CID 163257254
N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(3,6-dihydro-2H-pyran-4-yl)-2-methylpyrido[2,3-d]pyrimidin-4-amine
CID 162516070
N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(azetidin-1-yl)-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine
CID 176726156
N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine
CID 176726175
N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-cyclopropyl-6-deuterioquinazolin-4-amine
CID 175836509
[7-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-2-methylquinazolin-6-yl]-2-(dimethylamino)indolizin-5-yl] formate
CID 175415644

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-pyridin-2-ylimidazo[1,2-a]quinazolin-5-amine?
The IUPAC name of N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-pyridin-2-ylimidazo[1,2-a]quinazolin-5-amine (CID 170554223) is N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-pyridin-2-ylimidazo[1,2-a]quinazolin-5-amine.
What is the SMILES notation for N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-pyridin-2-ylimidazo[1,2-a]quinazolin-5-amine?
The canonical SMILES for N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-pyridin-2-ylimidazo[1,2-a]quinazolin-5-amine is C[C@@H](Nc1nc2nccn2c2ccc(-c3ccccn3)cc12)c1cc(N)cc(C(F)(F)F)c1.
What is the InChIKey of N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-pyridin-2-ylimidazo[1,2-a]quinazolin-5-amine?
The InChIKey is KHTUIZDXKNMZNQ-CQSZACIVSA-N. The full InChI is InChI=1S/C24H19F3N6/c1-14(16-10-17(24(25,26)27)13-18(28)11-16)31-22-19-12-15(20-4-2-3-7-29-20)5-6-21(19)33-9-8-30-23(33)32-22/h2-14H,28H2,1H3,(H,30,31,32)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-pyridin-2-ylimidazo[1,2-a]quinazolin-5-amine?
N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-pyridin-2-ylimidazo[1,2-a]quinazolin-5-amine has a molecular weight of 448.45 g/mol, XLogP of 5.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-pyridin-2-ylimidazo[1,2-a]quinazolin-5-amine is sourced from PubChem (CID 170554223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).