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

C23H30N6 — CID 11538365

IUPAC(8S)-N-methyl-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)cn23)CC1
InChIInChI=1S/C23H30N6/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/h4-5,7,9-11,17,20H,3,6,8,12-16H2,1-2H3/t20-/m0/s1
InChIKeyFRHRAPSVOIMXJY-FQEVSTJZSA-N
MW390.54 g/mol
LogP2.99
Rot. Bonds4

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

(8S)-N-methyl-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 11538365) has the molecular formula C23H30N6 and a molecular weight of 390.54 g/mol. Its IUPAC name is (8S)-N-methyl-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound Name(8S)-N-methyl-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID11538365
Molecular FormulaC23H30N6
Molecular Weight390.54 g/mol
Exact Mass390.25
IUPAC Name(8S)-N-methyl-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)cn23)CC1
InChIInChI=1S/C23H30N6/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/h4-5,7,9-11,17,20H,3,6,8,12-16H2,1-2H3/t20-/m0/s1
InChIKeyFRHRAPSVOIMXJY-FQEVSTJZSA-N
XLogP2.99
TPSA39.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.54
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (8S)-N-methyl-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of (8S)-N-methyl-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 11538365) is (8S)-N-methyl-N-[[5-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for (8S)-N-methyl-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)cn23)CC1.
What is the InChIKey of (8S)-N-methyl-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is FRHRAPSVOIMXJY-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H30N6/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/h4-5,7,9-11,17,20H,3,6,8,12-16H2,1-2H3/t20-/m0/s1.
What are the key properties of (8S)-N-methyl-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
(8S)-N-methyl-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 390.54 g/mol, XLogP of 2.99, 4 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-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 11538365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).