N-methyl-1-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethanamine;5,6,7,8-tetrahydroquinoline

C24H34N6 — CID 143198321

IUPACN-methyl-1-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethanamine;5,6,7,8-tetrahydroquinoline
SMILESCNC(C)c1cn2c(N3CCN(C)CC3)cccc2n1.c1cnc2c(c1)CCCC2
InChIInChI=1S/C15H23N5.C9H11N/c1-12(16-2)13-11-20-14(17-13)5-4-6-15(20)19-9-7-18(3)8-10-19;1-2-6-9-8(4-1)5-3-7-10-9/h4-6,11-12,16H,7-10H2,1-3H3;3,5,7H,1-2,4,6H2
InChIKeyJOIAQAVYTHEIRX-UHFFFAOYSA-N
MW406.58 g/mol
LogP3.33
Rot. Bonds3

About N-methyl-1-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethanamine;5,6,7,8-tetrahydroquinoline

N-methyl-1-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethanamine;5,6,7,8-tetrahydroquinoline (PubChem CID 143198321) has the molecular formula C24H34N6 and a molecular weight of 406.58 g/mol. Its IUPAC name is N-methyl-1-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethanamine;5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound NameN-methyl-1-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethanamine;5,6,7,8-tetrahydroquinoline
PubChem CID143198321
Molecular FormulaC24H34N6
Molecular Weight406.58 g/mol
Exact Mass406.28
IUPAC NameN-methyl-1-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethanamine;5,6,7,8-tetrahydroquinoline
SMILESCNC(C)c1cn2c(N3CCN(C)CC3)cccc2n1.c1cnc2c(c1)CCCC2
InChIInChI=1S/C15H23N5.C9H11N/c1-12(16-2)13-11-20-14(17-13)5-4-6-15(20)19-9-7-18(3)8-10-19;1-2-6-9-8(4-1)5-3-7-10-9/h4-6,11-12,16H,7-10H2,1-3H3;3,5,7H,1-2,4,6H2
InChIKeyJOIAQAVYTHEIRX-UHFFFAOYSA-N
XLogP3.33
TPSA48.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.58
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanamine;5,6,7,8-tetrahydroquinoline
CID 143196391
N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-pyridin-2-ylmethanamine;5,6,7,8-tetrahydroquinoline
CID 143208914
N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]propan-2-amine;5,6,7,8-tetrahydroquinoline
CID 143191657
2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 145424641
2-[(2S,6R)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 145424524
[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol
CID 58985317
5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 141140259
12-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene
CID 175984451
(8S)-N-[(2-methoxyphenyl)methyl]-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11591360
(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
2-methyl-4-(4-methylpiperazin-1-yl)-6-pyrrolidin-2-ylpyrimidine;5,6,7,8-tetrahydroquinoline
CID 142548977
N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-(4-phenylphenyl)methanamine
CID 143198338

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethanamine;5,6,7,8-tetrahydroquinoline?
The IUPAC name of N-methyl-1-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethanamine;5,6,7,8-tetrahydroquinoline (CID 143198321) is N-methyl-1-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethanamine;5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for N-methyl-1-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethanamine;5,6,7,8-tetrahydroquinoline?
The canonical SMILES for N-methyl-1-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethanamine;5,6,7,8-tetrahydroquinoline is CNC(C)c1cn2c(N3CCN(C)CC3)cccc2n1.c1cnc2c(c1)CCCC2.
What is the InChIKey of N-methyl-1-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethanamine;5,6,7,8-tetrahydroquinoline?
The InChIKey is JOIAQAVYTHEIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5.C9H11N/c1-12(16-2)13-11-20-14(17-13)5-4-6-15(20)19-9-7-18(3)8-10-19;1-2-6-9-8(4-1)5-3-7-10-9/h4-6,11-12,16H,7-10H2,1-3H3;3,5,7H,1-2,4,6H2.
What are the key properties of N-methyl-1-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethanamine;5,6,7,8-tetrahydroquinoline?
N-methyl-1-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethanamine;5,6,7,8-tetrahydroquinoline has a molecular weight of 406.58 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethanamine;5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 143198321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).