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

C25H34N6 — CID 11596908

IUPAC(8S)-N-methyl-N-[[5-[methyl-(1-methylpiperidin-4-yl)amino]imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN1CCC(N(C)c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)cn23)CC1
InChIInChI=1S/C25H34N6/c1-28-15-12-21(13-16-28)30(3)24-11-5-10-23-27-20(18-31(23)24)17-29(2)22-9-4-7-19-8-6-14-26-25(19)22/h5-6,8,10-11,14,18,21-22H,4,7,9,12-13,15-17H2,1-3H3/t22-/m0/s1
InChIKeyIJRADFNTAYCYKO-QFIPXVFZSA-N
MW418.59 g/mol
LogP3.77
Rot. Bonds5

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

(8S)-N-methyl-N-[[5-[methyl-(1-methylpiperidin-4-yl)amino]imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 11596908) has the molecular formula C25H34N6 and a molecular weight of 418.59 g/mol. Its IUPAC name is (8S)-N-methyl-N-[[5-[methyl-(1-methylpiperidin-4-yl)amino]imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound Name(8S)-N-methyl-N-[[5-[methyl-(1-methylpiperidin-4-yl)amino]imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID11596908
Molecular FormulaC25H34N6
Molecular Weight418.59 g/mol
Exact Mass418.28
IUPAC Name(8S)-N-methyl-N-[[5-[methyl-(1-methylpiperidin-4-yl)amino]imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN1CCC(N(C)c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)cn23)CC1
InChIInChI=1S/C25H34N6/c1-28-15-12-21(13-16-28)30(3)24-11-5-10-23-27-20(18-31(23)24)17-29(2)22-9-4-7-19-8-6-14-26-25(19)22/h5-6,8,10-11,14,18,21-22H,4,7,9,12-13,15-17H2,1-3H3/t22-/m0/s1
InChIKeyIJRADFNTAYCYKO-QFIPXVFZSA-N
XLogP3.77
TPSA39.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (8S)-N-methyl-N-[[5-[methyl-(1-methylpiperidin-4-yl)amino]imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8S)-N-methyl-N-[[5-[methyl-(1-methylpiperidin-4-yl)amino]imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of (8S)-N-methyl-N-[[5-[methyl-(1-methylpiperidin-4-yl)amino]imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 11596908) is (8S)-N-methyl-N-[[5-[methyl-(1-methylpiperidin-4-yl)amino]imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for (8S)-N-methyl-N-[[5-[methyl-(1-methylpiperidin-4-yl)amino]imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for (8S)-N-methyl-N-[[5-[methyl-(1-methylpiperidin-4-yl)amino]imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is CN1CCC(N(C)c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)cn23)CC1.
What is the InChIKey of (8S)-N-methyl-N-[[5-[methyl-(1-methylpiperidin-4-yl)amino]imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is IJRADFNTAYCYKO-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H34N6/c1-28-15-12-21(13-16-28)30(3)24-11-5-10-23-27-20(18-31(23)24)17-29(2)22-9-4-7-19-8-6-14-26-25(19)22/h5-6,8,10-11,14,18,21-22H,4,7,9,12-13,15-17H2,1-3H3/t22-/m0/s1.
What are the key properties of (8S)-N-methyl-N-[[5-[methyl-(1-methylpiperidin-4-yl)amino]imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
(8S)-N-methyl-N-[[5-[methyl-(1-methylpiperidin-4-yl)amino]imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 418.59 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-methyl-N-[[5-[methyl-(1-methylpiperidin-4-yl)amino]imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 11596908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).