N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]quinazolin-5-amine

C24H23F3N6 — CID 170554206

About N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]quinazolin-5-amine

N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]quinazolin-5-amine (PubChem CID 170554206) has the molecular formula C24H23F3N6 and a molecular weight of 452.48 g/mol. Its IUPAC name is N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]quinazolin-5-amine.

Molecular Properties

• Compound Name: N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]quinazolin-5-amine
• PubChem CID: 170554206
• Molecular Formula: C24H23F3N6
• Molecular Weight: 452.48 g/mol
• Exact Mass: 452.19
• IUPAC Name: N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]quinazolin-5-amine
• SMILES: C[C@@H](Nc1nc2nccn2c2ccc(C3=CCNCC3)cc12)c1cc(N)cc(C(F)(F)F)c1
• InChI: InChI=1S/C24H23F3N6/c1-14(17-10-18(24(25,26)27)13-19(28)11-17)31-22-20-12-16(15-4-6-29-7-5-15)2-3-21(20)33-9-8-30-23(33)32-22/h2-4,8-14,29H,5-7,28H2,1H3,(H,30,31,32)/t14-/m1/s1
• InChIKey: LNWQPNMMRHNWSK-CQSZACIVSA-N
• XLogP: 5.03
• TPSA: 80.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.48
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]quinazolin-5-amine?

The IUPAC name of 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) is N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]quinazolin-5-amine.

What is the SMILES notation for N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]quinazolin-5-amine?

The canonical SMILES for N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]quinazolin-5-amine is C[C@@H](Nc1nc2nccn2c2ccc(C3=CCNCC3)cc12)c1cc(N)cc(C(F)(F)F)c1.

What is the InChIKey of N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]quinazolin-5-amine?

The InChIKey is LNWQPNMMRHNWSK-CQSZACIVSA-N. The full InChI is InChI=1S/C24H23F3N6/c1-14(17-10-18(24(25,26)27)13-19(28)11-17)31-22-20-12-16(15-4-6-29-7-5-15)2-3-21(20)33-9-8-30-23(33)32-22/h2-4,8-14,29H,5-7,28H2,1H3,(H,30,31,32)/t14-/m1/s1.

What are the key properties of N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]quinazolin-5-amine?

N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]quinazolin-5-amine has a molecular weight of 452.48 g/mol, XLogP of 5.03, 4 rotatable bonds, 3 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-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]quinazolin-5-amine is sourced from PubChem (CID 170554206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).