(8S)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

C30H33F3N6 — CID 11627977

About (8S)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

(8S)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 11627977) has the molecular formula C30H33F3N6 and a molecular weight of 534.63 g/mol. Its IUPAC name is (8S)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

• Compound Name: (8S)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
• PubChem CID: 11627977
• Molecular Formula: C30H33F3N6
• Molecular Weight: 534.63 g/mol
• Exact Mass: 534.27
• IUPAC Name: (8S)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
• SMILES: CN1CCN(c2cccc3nc(CN(Cc4ccc(C(F)(F)F)cc4)[C@H]4CCCc5cccnc54)cn23)CC1
• InChI: InChI=1S/C30H33F3N6/c1-36-15-17-37(18-16-36)28-9-3-8-27-35-25(21-39(27)28)20-38(19-22-10-12-24(13-11-22)30(31,32)33)26-7-2-5-23-6-4-14-34-29(23)26/h3-4,6,8-14,21,26H,2,5,7,15-20H2,1H3/t26-/m0/s1
• InChIKey: MJKGXNDWAPDFFX-SANMLTNESA-N
• XLogP: 5.58
• TPSA: 39.91 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.63
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (8S)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

The IUPAC name of (8S)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 11627977) is (8S)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

What is the SMILES notation for (8S)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

The canonical SMILES for (8S)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is CN1CCN(c2cccc3nc(CN(Cc4ccc(C(F)(F)F)cc4)[C@H]4CCCc5cccnc54)cn23)CC1.

What is the InChIKey of (8S)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

The InChIKey is MJKGXNDWAPDFFX-SANMLTNESA-N. The full InChI is InChI=1S/C30H33F3N6/c1-36-15-17-37(18-16-36)28-9-3-8-27-35-25(21-39(27)28)20-38(19-22-10-12-24(13-11-22)30(31,32)33)26-7-2-5-23-6-4-14-34-29(23)26/h3-4,6,8-14,21,26H,2,5,7,15-20H2,1H3/t26-/m0/s1.

What are the key properties of (8S)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

(8S)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 534.63 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (8S)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 11627977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).