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

C24H29F3N6 — CID 11554349

IUPACN-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN1CCN(c2cccc3nc(CN(CC(F)(F)F)C4CCCc5cccnc54)cn23)CC1
InChIInChI=1S/C24H29F3N6/c1-30-11-13-31(14-12-30)22-9-3-8-21-29-19(16-33(21)22)15-32(17-24(25,26)27)20-7-2-5-18-6-4-10-28-23(18)20/h3-4,6,8-10,16,20H,2,5,7,11-15,17H2,1H3
InChIKeyYFHHDEUDFFNCEW-UHFFFAOYSA-N
MW458.53 g/mol
LogP3.92
Rot. Bonds5

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

N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 11554349) has the molecular formula C24H29F3N6 and a molecular weight of 458.53 g/mol. Its IUPAC name is N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID11554349
Molecular FormulaC24H29F3N6
Molecular Weight458.53 g/mol
Exact Mass458.24
IUPAC NameN-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN1CCN(c2cccc3nc(CN(CC(F)(F)F)C4CCCc5cccnc54)cn23)CC1
InChIInChI=1S/C24H29F3N6/c1-30-11-13-31(14-12-30)22-9-3-8-21-29-19(16-33(21)22)15-32(17-24(25,26)27)20-7-2-5-18-6-4-10-28-23(18)20/h3-4,6,8-10,16,20H,2,5,7,11-15,17H2,1H3
InChIKeyYFHHDEUDFFNCEW-UHFFFAOYSA-N
XLogP3.92
TPSA39.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinolin-8-amine (CID 11554349) is N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinolin-8-amine is CN1CCN(c2cccc3nc(CN(CC(F)(F)F)C4CCCc5cccnc54)cn23)CC1.
What is the InChIKey of N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is YFHHDEUDFFNCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N6/c1-30-11-13-31(14-12-30)22-9-3-8-21-29-19(16-33(21)22)15-32(17-24(25,26)27)20-7-2-5-18-6-4-10-28-23(18)20/h3-4,6,8-10,16,20H,2,5,7,11-15,17H2,1H3.
What are the key properties of N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 458.53 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 11554349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).