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

C29H34N6 — CID 11662732

IUPAC(8S)-N-benzyl-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN1CCN(c2cccc3nc(CN(Cc4ccccc4)[C@H]4CCCc5cccnc54)cn23)CC1
InChIInChI=1S/C29H34N6/c1-32-16-18-33(19-17-32)28-14-6-13-27-31-25(22-35(27)28)21-34(20-23-8-3-2-4-9-23)26-12-5-10-24-11-7-15-30-29(24)26/h2-4,6-9,11,13-15,22,26H,5,10,12,16-21H2,1H3/t26-/m0/s1
InChIKeyBNOPLAIRDVCQBH-SANMLTNESA-N
MW466.63 g/mol
LogP4.56
Rot. Bonds6

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

(8S)-N-benzyl-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 11662732) has the molecular formula C29H34N6 and a molecular weight of 466.63 g/mol. Its IUPAC name is (8S)-N-benzyl-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-benzyl-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID11662732
Molecular FormulaC29H34N6
Molecular Weight466.63 g/mol
Exact Mass466.28
IUPAC Name(8S)-N-benzyl-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN1CCN(c2cccc3nc(CN(Cc4ccccc4)[C@H]4CCCc5cccnc54)cn23)CC1
InChIInChI=1S/C29H34N6/c1-32-16-18-33(19-17-32)28-14-6-13-27-31-25(22-35(27)28)21-34(20-23-8-3-2-4-9-23)26-12-5-10-24-11-7-15-30-29(24)26/h2-4,6-9,11,13-15,22,26H,5,10,12,16-21H2,1H3/t26-/m0/s1
InChIKeyBNOPLAIRDVCQBH-SANMLTNESA-N
XLogP4.56
TPSA39.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (8S)-N-benzyl-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-benzyl-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-benzyl-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 11662732) is (8S)-N-benzyl-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-benzyl-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-benzyl-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(Cc4ccccc4)[C@H]4CCCc5cccnc54)cn23)CC1.
What is the InChIKey of (8S)-N-benzyl-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is BNOPLAIRDVCQBH-SANMLTNESA-N. The full InChI is InChI=1S/C29H34N6/c1-32-16-18-33(19-17-32)28-14-6-13-27-31-25(22-35(27)28)21-34(20-23-8-3-2-4-9-23)26-12-5-10-24-11-7-15-30-29(24)26/h2-4,6-9,11,13-15,22,26H,5,10,12,16-21H2,1H3/t26-/m0/s1.
What are the key properties of (8S)-N-benzyl-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
(8S)-N-benzyl-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 466.63 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-benzyl-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 11662732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).