(8S)-N-[[5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine

C32H42N6O — CID 71160294

IUPAC(8S)-N-[[5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCOc1ccc([C@H](C)N(CC2CN3C(N4CC[C@@H](N(C)C)C4)=CC=CC3=N2)[C@H]2CCCc3cccnc32)cc1
InChIInChI=1S/C32H42N6O/c1-23(24-13-15-28(39-4)16-14-24)37(29-10-5-8-25-9-7-18-33-32(25)29)20-26-21-38-30(34-26)11-6-12-31(38)36-19-17-27(22-36)35(2)3/h6-7,9,11-16,18,23,26-27,29H,5,8,10,17,19-22H2,1-4H3/t23-,26?,27+,29-/m0/s1
InChIKeyDTZNBLZQLNRIPJ-LUCNMDJVSA-N
MW526.73 g/mol
LogP4.66
Rot. Bonds8

About (8S)-N-[[5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine

(8S)-N-[[5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 71160294) has the molecular formula C32H42N6O and a molecular weight of 526.73 g/mol. Its IUPAC name is (8S)-N-[[5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound Name(8S)-N-[[5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID71160294
Molecular FormulaC32H42N6O
Molecular Weight526.73 g/mol
Exact Mass526.34
IUPAC Name(8S)-N-[[5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCOc1ccc([C@H](C)N(CC2CN3C(N4CC[C@@H](N(C)C)C4)=CC=CC3=N2)[C@H]2CCCc3cccnc32)cc1
InChIInChI=1S/C32H42N6O/c1-23(24-13-15-28(39-4)16-14-24)37(29-10-5-8-25-9-7-18-33-32(25)29)20-26-21-38-30(34-26)11-6-12-31(38)36-19-17-27(22-36)35(2)3/h6-7,9,11-16,18,23,26-27,29H,5,8,10,17,19-22H2,1-4H3/t23-,26?,27+,29-/m0/s1
InChIKeyDTZNBLZQLNRIPJ-LUCNMDJVSA-N
XLogP4.66
TPSA47.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.73
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (8S)-N-[[5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8S)-N-[[5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of (8S)-N-[[5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 71160294) is (8S)-N-[[5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for (8S)-N-[[5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for (8S)-N-[[5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine is COc1ccc([C@H](C)N(CC2CN3C(N4CC[C@@H](N(C)C)C4)=CC=CC3=N2)[C@H]2CCCc3cccnc32)cc1.
What is the InChIKey of (8S)-N-[[5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is DTZNBLZQLNRIPJ-LUCNMDJVSA-N. The full InChI is InChI=1S/C32H42N6O/c1-23(24-13-15-28(39-4)16-14-24)37(29-10-5-8-25-9-7-18-33-32(25)29)20-26-21-38-30(34-26)11-6-12-31(38)36-19-17-27(22-36)35(2)3/h6-7,9,11-16,18,23,26-27,29H,5,8,10,17,19-22H2,1-4H3/t23-,26?,27+,29-/m0/s1.
What are the key properties of (8S)-N-[[5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
(8S)-N-[[5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 526.73 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-[[5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 71160294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).