(8R)-N-methyl-N-[[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

C23H32N6 — CID 71162773

IUPAC(8R)-N-methyl-N-[[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN1CCN(C2=CC=CC3=NC(CN(C)[C@@H]4CCCc5cccnc54)CN23)CC1
InChIInChI=1S/C23H32N6/c1-26-12-14-28(15-13-26)22-10-4-9-21-25-19(17-29(21)22)16-27(2)20-8-3-6-18-7-5-11-24-23(18)20/h4-5,7,9-11,19-20H,3,6,8,12-17H2,1-2H3/t19?,20-/m1/s1
InChIKeyIHKFZXQSSCELJE-GFOWMXPYSA-N
MW392.55 g/mol
LogP2.13
Rot. Bonds4

About (8R)-N-methyl-N-[[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

(8R)-N-methyl-N-[[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 71162773) has the molecular formula C23H32N6 and a molecular weight of 392.55 g/mol. Its IUPAC name is (8R)-N-methyl-N-[[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound Name(8R)-N-methyl-N-[[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID71162773
Molecular FormulaC23H32N6
Molecular Weight392.55 g/mol
Exact Mass392.27
IUPAC Name(8R)-N-methyl-N-[[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN1CCN(C2=CC=CC3=NC(CN(C)[C@@H]4CCCc5cccnc54)CN23)CC1
InChIInChI=1S/C23H32N6/c1-26-12-14-28(15-13-26)22-10-4-9-21-25-19(17-29(21)22)16-27(2)20-8-3-6-18-7-5-11-24-23(18)20/h4-5,7,9-11,19-20H,3,6,8,12-17H2,1-2H3/t19?,20-/m1/s1
InChIKeyIHKFZXQSSCELJE-GFOWMXPYSA-N
XLogP2.13
TPSA38.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (8R)-N-methyl-N-[[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine with MolForge

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Related Compounds

(8S)-N-[[5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 71160294
1-[[5-(4-methylpiperazin-1-yl)-2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methyl]-3-phenylurea
CID 71067095
benzyl N-[[5-(4-methylpiperazin-1-yl)-2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methyl]carbamate
CID 71067143
1-[4-(dimethylamino)phenyl]-3-[[5-(4-methylpiperazin-1-yl)-2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methyl]urea
CID 71067071
[5-(4-methylpiperazin-1-yl)-2-[[pyridin-4-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methanol
CID 71088892
3-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol
CID 155373924
5-[4-(dimethylamino)piperidin-1-yl]-3-methyl-2-[[propan-2-yl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-2H-imidazo[1,2-a]pyridine-3-carbonitrile
CID 143518633
tert-butyl N-[(3R)-1-[3-(hydroxymethyl)-2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-5-yl]pyrrolidin-3-yl]-N-methylcarbamate
CID 71160232
2-[[ethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-5-(4-methylpiperazin-1-yl)-9H-imidazo[1,2-a]azepine-3-carbonitrile
CID 143518539
N-methyl-N-[[4-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperazin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 153453220
(2R,4S,6S)-1-methyl-2-[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-ol
CID 146555165
N-[[3-chloro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 75276084

Frequently Asked Questions

What is the IUPAC name of (8R)-N-methyl-N-[[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of (8R)-N-methyl-N-[[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 71162773) is (8R)-N-methyl-N-[[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for (8R)-N-methyl-N-[[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for (8R)-N-methyl-N-[[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is CN1CCN(C2=CC=CC3=NC(CN(C)[C@@H]4CCCc5cccnc54)CN23)CC1.
What is the InChIKey of (8R)-N-methyl-N-[[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is IHKFZXQSSCELJE-GFOWMXPYSA-N. The full InChI is InChI=1S/C23H32N6/c1-26-12-14-28(15-13-26)22-10-4-9-21-25-19(17-29(21)22)16-27(2)20-8-3-6-18-7-5-11-24-23(18)20/h4-5,7,9-11,19-20H,3,6,8,12-17H2,1-2H3/t19?,20-/m1/s1.
What are the key properties of (8R)-N-methyl-N-[[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
(8R)-N-methyl-N-[[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 392.55 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-N-methyl-N-[[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 71162773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).