(8S)-N-[2-[3-(aminomethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]-5,6,7,8-tetrahydroquinolin-8-amine

C24H33N7 — CID 68974371

IUPAC(8S)-N-[2-[3-(aminomethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN1CCN(c2cccc3nc(CCN[C@H]4CCCc5cccnc54)c(CN)n23)CC1
InChIInChI=1S/C24H33N7/c1-29-13-15-30(16-14-29)23-9-3-8-22-28-19(21(17-25)31(22)23)10-12-26-20-7-2-5-18-6-4-11-27-24(18)20/h3-4,6,8-9,11,20,26H,2,5,7,10,12-17,25H2,1H3/t20-/m0/s1
InChIKeyCBEVHJNNTIKJKK-FQEVSTJZSA-N
MW419.58 g/mol
LogP2.15
Rot. Bonds6

About (8S)-N-[2-[3-(aminomethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]-5,6,7,8-tetrahydroquinolin-8-amine

(8S)-N-[2-[3-(aminomethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 68974371) has the molecular formula C24H33N7 and a molecular weight of 419.58 g/mol. Its IUPAC name is (8S)-N-[2-[3-(aminomethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound Name(8S)-N-[2-[3-(aminomethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID68974371
Molecular FormulaC24H33N7
Molecular Weight419.58 g/mol
Exact Mass419.28
IUPAC Name(8S)-N-[2-[3-(aminomethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN1CCN(c2cccc3nc(CCN[C@H]4CCCc5cccnc54)c(CN)n23)CC1
InChIInChI=1S/C24H33N7/c1-29-13-15-30(16-14-29)23-9-3-8-22-28-19(21(17-25)31(22)23)10-12-26-20-7-2-5-18-6-4-11-27-24(18)20/h3-4,6,8-9,11,20,26H,2,5,7,10,12-17,25H2,1H3/t20-/m0/s1
InChIKeyCBEVHJNNTIKJKK-FQEVSTJZSA-N
XLogP2.15
TPSA74.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.58
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (8S)-N-[2-[3-(aminomethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]-5,6,7,8-tetrahydroquinolin-8-amine with MolForge

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Launch Full Analysis

Related Compounds

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
N-[2-(5-bromoimidazo[1,2-a]pyridin-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 91094837
N-[2-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 80682877
N-[[3-chloro-5-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 75276085
N-[[3-chloro-5-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 75276096
N-[2-(4-methylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079118
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79080172
N'-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine
CID 142667915
N-[[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 141350644
(8S)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 59761362
[1-[3-(hydroxymethyl)-2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]imidazo[1,2-a]pyridin-5-yl]pyrrolidin-3-yl]-dimethylazanium
CID 143196505
N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079711

Frequently Asked Questions

What is the IUPAC name of (8S)-N-[2-[3-(aminomethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of (8S)-N-[2-[3-(aminomethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 68974371) is (8S)-N-[2-[3-(aminomethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for (8S)-N-[2-[3-(aminomethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for (8S)-N-[2-[3-(aminomethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]-5,6,7,8-tetrahydroquinolin-8-amine is CN1CCN(c2cccc3nc(CCN[C@H]4CCCc5cccnc54)c(CN)n23)CC1.
What is the InChIKey of (8S)-N-[2-[3-(aminomethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is CBEVHJNNTIKJKK-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H33N7/c1-29-13-15-30(16-14-29)23-9-3-8-22-28-19(21(17-25)31(22)23)10-12-26-20-7-2-5-18-6-4-11-27-24(18)20/h3-4,6,8-9,11,20,26H,2,5,7,10,12-17,25H2,1H3/t20-/m0/s1.
What are the key properties of (8S)-N-[2-[3-(aminomethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
(8S)-N-[2-[3-(aminomethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 419.58 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-[2-[3-(aminomethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 68974371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).