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

C24H32N6 — CID 11603821

IUPAC(8S)-N-[[5-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCCN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)cn23)CC1
InChIInChI=1S/C24H32N6/c1-3-28-13-15-29(16-14-28)23-11-5-10-22-26-20(18-30(22)23)17-27(2)21-9-4-7-19-8-6-12-25-24(19)21/h5-6,8,10-12,18,21H,3-4,7,9,13-17H2,1-2H3/t21-/m0/s1
InChIKeyRTYCIUZFGNBFDO-NRFANRHFSA-N
MW404.56 g/mol
LogP3.38
Rot. Bonds5

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

(8S)-N-[[5-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 11603821) has the molecular formula C24H32N6 and a molecular weight of 404.56 g/mol. Its IUPAC name is (8S)-N-[[5-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound Name(8S)-N-[[5-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID11603821
Molecular FormulaC24H32N6
Molecular Weight404.56 g/mol
Exact Mass404.27
IUPAC Name(8S)-N-[[5-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCCN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)cn23)CC1
InChIInChI=1S/C24H32N6/c1-3-28-13-15-29(16-14-28)23-11-5-10-22-26-20(18-30(22)23)17-27(2)21-9-4-7-19-8-6-12-25-24(19)21/h5-6,8,10-12,18,21H,3-4,7,9,13-17H2,1-2H3/t21-/m0/s1
InChIKeyRTYCIUZFGNBFDO-NRFANRHFSA-N
XLogP3.38
TPSA39.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (8S)-N-[[5-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of (8S)-N-[[5-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine (CID 11603821) is (8S)-N-[[5-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for (8S)-N-[[5-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for (8S)-N-[[5-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine is CCN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)cn23)CC1.
What is the InChIKey of (8S)-N-[[5-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is RTYCIUZFGNBFDO-NRFANRHFSA-N. The full InChI is InChI=1S/C24H32N6/c1-3-28-13-15-29(16-14-28)23-11-5-10-22-26-20(18-30(22)23)17-27(2)21-9-4-7-19-8-6-12-25-24(19)21/h5-6,8,10-12,18,21H,3-4,7,9,13-17H2,1-2H3/t21-/m0/s1.
What are the key properties of (8S)-N-[[5-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
(8S)-N-[[5-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 404.56 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-[[5-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 11603821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).