(3S)-N-[5-chloro-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroquinolin-3-amine

C23H19ClN6 — CID 162383267

IUPAC(3S)-N-[5-chloro-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroquinolin-3-amine
SMILESClc1c(-c2c[nH]c3ccccc23)nc(N[C@@H]2CNc3ccccc3C2)c2nccn12
InChIInChI=1S/C23H19ClN6/c24-21-20(17-13-27-19-8-4-2-6-16(17)19)29-22(23-25-9-10-30(21)23)28-15-11-14-5-1-3-7-18(14)26-12-15/h1-10,13,15,26-27H,11-12H2,(H,28,29)/t15-/m0/s1
InChIKeyQKWQTDDFIHWOGZ-HNNXBMFYSA-N
MW414.90 g/mol
LogP4.98
Rot. Bonds3

About (3S)-N-[5-chloro-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroquinolin-3-amine

(3S)-N-[5-chloro-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroquinolin-3-amine (PubChem CID 162383267) has the molecular formula C23H19ClN6 and a molecular weight of 414.90 g/mol. Its IUPAC name is (3S)-N-[5-chloro-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroquinolin-3-amine.

Molecular Properties

Compound Name(3S)-N-[5-chloro-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroquinolin-3-amine
PubChem CID162383267
Molecular FormulaC23H19ClN6
Molecular Weight414.90 g/mol
Exact Mass414.14
IUPAC Name(3S)-N-[5-chloro-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroquinolin-3-amine
SMILESClc1c(-c2c[nH]c3ccccc23)nc(N[C@@H]2CNc3ccccc3C2)c2nccn12
InChIInChI=1S/C23H19ClN6/c24-21-20(17-13-27-19-8-4-2-6-16(17)19)29-22(23-25-9-10-30(21)23)28-15-11-14-5-1-3-7-18(14)26-12-15/h1-10,13,15,26-27H,11-12H2,(H,28,29)/t15-/m0/s1
InChIKeyQKWQTDDFIHWOGZ-HNNXBMFYSA-N
XLogP4.98
TPSA70.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.90
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-azabicyclo[2.2.1]heptan-3-yl)-5-chloro-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-amine
CID 166884968
ethyl (2S,4S)-4-[[5-chloro-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrrolidine-2-carboxylate
CID 162383265
2-chloro-4-(1H-indol-3-yl)imidazo[2,1-f][1,2,4]triazine
CID 163210234
8-(1H-indol-3-yl)-N-piperidin-3-ylimidazo[1,2-b]pyridazin-6-amine
CID 175697301
(3S)-N-methyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 96558902
cis-(1S,3R)-1-N-chloro-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine
CID 118426018
tert-butyl (3R)-3-[[4-(1H-indol-3-yl)imidazo[2,1-f][1,2,4]triazin-2-yl]amino]piperidine-1-carboxylate
CID 163210225
[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]carbamic acid
CID 118417945
(3R)-3-amino-N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]cyclobutene-1-carboxamide
CID 144940843
N-[(3S,5S)-1-benzyl-5-methylpiperidin-3-yl]-5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine
CID 175901767
tert-butyl (2S)-2-[[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]carbamoyl]pyrrolidine-1-carboxylate
CID 129279056
(3R)-N-[(1S)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]piperidine-3-carboxamide
CID 129306125

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[5-chloro-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroquinolin-3-amine?
The IUPAC name of (3S)-N-[5-chloro-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroquinolin-3-amine (CID 162383267) is (3S)-N-[5-chloro-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroquinolin-3-amine.
What is the SMILES notation for (3S)-N-[5-chloro-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroquinolin-3-amine?
The canonical SMILES for (3S)-N-[5-chloro-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroquinolin-3-amine is Clc1c(-c2c[nH]c3ccccc23)nc(N[C@@H]2CNc3ccccc3C2)c2nccn12.
What is the InChIKey of (3S)-N-[5-chloro-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroquinolin-3-amine?
The InChIKey is QKWQTDDFIHWOGZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H19ClN6/c24-21-20(17-13-27-19-8-4-2-6-16(17)19)29-22(23-25-9-10-30(21)23)28-15-11-14-5-1-3-7-18(14)26-12-15/h1-10,13,15,26-27H,11-12H2,(H,28,29)/t15-/m0/s1.
What are the key properties of (3S)-N-[5-chloro-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroquinolin-3-amine?
(3S)-N-[5-chloro-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroquinolin-3-amine has a molecular weight of 414.90 g/mol, XLogP of 4.98, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[5-chloro-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroquinolin-3-amine is sourced from PubChem (CID 162383267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).