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

C25H34N6 — CID 11524564

IUPAC(8S)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCCCN(Cc1cn2c(N3CCN(C)CC3)cccc2n1)[C@H]1CCCc2cccnc21
InChIInChI=1S/C25H34N6/c1-3-13-30(22-9-4-7-20-8-6-12-26-25(20)22)18-21-19-31-23(27-21)10-5-11-24(31)29-16-14-28(2)15-17-29/h5-6,8,10-12,19,22H,3-4,7,9,13-18H2,1-2H3/t22-/m0/s1
InChIKeyVLKZZNVOWQCIBI-QFIPXVFZSA-N
MW418.59 g/mol
LogP3.77
Rot. Bonds6

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

(8S)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 11524564) has the molecular formula C25H34N6 and a molecular weight of 418.59 g/mol. Its IUPAC name is (8S)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound Name(8S)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID11524564
Molecular FormulaC25H34N6
Molecular Weight418.59 g/mol
Exact Mass418.28
IUPAC Name(8S)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCCCN(Cc1cn2c(N3CCN(C)CC3)cccc2n1)[C@H]1CCCc2cccnc21
InChIInChI=1S/C25H34N6/c1-3-13-30(22-9-4-7-20-8-6-12-26-25(20)22)18-21-19-31-23(27-21)10-5-11-24(31)29-16-14-28(2)15-17-29/h5-6,8,10-12,19,22H,3-4,7,9,13-18H2,1-2H3/t22-/m0/s1
InChIKeyVLKZZNVOWQCIBI-QFIPXVFZSA-N
XLogP3.77
TPSA39.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 53.77
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-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of (8S)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine (CID 11524564) is (8S)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for (8S)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for (8S)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine is CCCN(Cc1cn2c(N3CCN(C)CC3)cccc2n1)[C@H]1CCCc2cccnc21.
What is the InChIKey of (8S)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is VLKZZNVOWQCIBI-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H34N6/c1-3-13-30(22-9-4-7-20-8-6-12-26-25(20)22)18-21-19-31-23(27-21)10-5-11-24(31)29-16-14-28(2)15-17-29/h5-6,8,10-12,19,22H,3-4,7,9,13-18H2,1-2H3/t22-/m0/s1.
What are the key properties of (8S)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine?
(8S)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 418.59 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 11524564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).