(2S)-1-(1H-indol-3-yl)-3-[(5-isoquinolin-6-yl-4-methyl-3-pyridinyl)oxy]propan-2-amine

C26H24N4O — CID 23647575

IUPAC(2S)-1-(1H-indol-3-yl)-3-[(5-isoquinolin-6-yl-4-methyl-3-pyridinyl)oxy]propan-2-amine
SMILESCc1c(OC[C@@H](N)Cc2c[nH]c3ccccc23)cncc1-c1ccc2cnccc2c1
InChIInChI=1S/C26H24N4O/c1-17-24(19-6-7-20-12-28-9-8-18(20)10-19)14-29-15-26(17)31-16-22(27)11-21-13-30-25-5-3-2-4-23(21)25/h2-10,12-15,22,30H,11,16,27H2,1H3/t22-/m0/s1
InChIKeyUCEMMINFCFCTRE-QFIPXVFZSA-N
MW408.51 g/mol
LogP5.04
Rot. Bonds6

About (2S)-1-(1H-indol-3-yl)-3-[(5-isoquinolin-6-yl-4-methyl-3-pyridinyl)oxy]propan-2-amine

(2S)-1-(1H-indol-3-yl)-3-[(5-isoquinolin-6-yl-4-methyl-3-pyridinyl)oxy]propan-2-amine (PubChem CID 23647575) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is (2S)-1-(1H-indol-3-yl)-3-[(5-isoquinolin-6-yl-4-methyl-3-pyridinyl)oxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(1H-indol-3-yl)-3-[(5-isoquinolin-6-yl-4-methyl-3-pyridinyl)oxy]propan-2-amine
PubChem CID23647575
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC Name(2S)-1-(1H-indol-3-yl)-3-[(5-isoquinolin-6-yl-4-methyl-3-pyridinyl)oxy]propan-2-amine
SMILESCc1c(OC[C@@H](N)Cc2c[nH]c3ccccc23)cncc1-c1ccc2cnccc2c1
InChIInChI=1S/C26H24N4O/c1-17-24(19-6-7-20-12-28-9-8-18(20)10-19)14-29-15-26(17)31-16-22(27)11-21-13-30-25-5-3-2-4-23(21)25/h2-10,12-15,22,30H,11,16,27H2,1H3/t22-/m0/s1
InChIKeyUCEMMINFCFCTRE-QFIPXVFZSA-N
XLogP5.04
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(1H-indol-3-yl)-3-[(5-isoquinolin-6-yl-4-methyl-3-pyridinyl)oxy]propan-2-amine with MolForge

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Related Compounds

A-443654
CID 10172943
9-Methoxy-5,11-Dimethyl-6H-Pyrido(4,3-B)Carbazole
CID 72512
5-(Benzyloxy)tryptamine
CID 89576
A-674563
CID 11314340
N,N-Dimethyl-5-(phenylmethoxy)-1H-indole-3-methanamine
CID 73814
AL-37350A
CID 10331436
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-ethynylpyridin-3-yl}isoquinoline
CID 23647573
(1S)-2-(1H-Indol-3-YL)-1-[({5-[(E)-2-pyridin-4-ylvinyl]pyridin-3-YL}oxy)methyl]ethylamine
CID 6914613
(1S)-1-(1H-Indol-3-ylmethyl)-2-(2-pyridin-4-YL-[1,7]naphtyridin-5-yloxy)-ehylamine
CID 6914614
3-[(2S)-2-amino-3-[(5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 23647380
3-(9-Methoxy-5,11-dimethylpyrido(4,3-b)carbazol-6-yl)propan-1-amine
CID 425818
9-Methoxy-2,5,11-trimethyl-6H-pyrido(4,3-b)carbazolium iodide
CID 3086380

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1H-indol-3-yl)-3-[(5-isoquinolin-6-yl-4-methyl-3-pyridinyl)oxy]propan-2-amine?
The IUPAC name of (2S)-1-(1H-indol-3-yl)-3-[(5-isoquinolin-6-yl-4-methyl-3-pyridinyl)oxy]propan-2-amine (CID 23647575) is (2S)-1-(1H-indol-3-yl)-3-[(5-isoquinolin-6-yl-4-methyl-3-pyridinyl)oxy]propan-2-amine.
What is the SMILES notation for (2S)-1-(1H-indol-3-yl)-3-[(5-isoquinolin-6-yl-4-methyl-3-pyridinyl)oxy]propan-2-amine?
The canonical SMILES for (2S)-1-(1H-indol-3-yl)-3-[(5-isoquinolin-6-yl-4-methyl-3-pyridinyl)oxy]propan-2-amine is Cc1c(OC[C@@H](N)Cc2c[nH]c3ccccc23)cncc1-c1ccc2cnccc2c1.
What is the InChIKey of (2S)-1-(1H-indol-3-yl)-3-[(5-isoquinolin-6-yl-4-methyl-3-pyridinyl)oxy]propan-2-amine?
The InChIKey is UCEMMINFCFCTRE-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H24N4O/c1-17-24(19-6-7-20-12-28-9-8-18(20)10-19)14-29-15-26(17)31-16-22(27)11-21-13-30-25-5-3-2-4-23(21)25/h2-10,12-15,22,30H,11,16,27H2,1H3/t22-/m0/s1.
What are the key properties of (2S)-1-(1H-indol-3-yl)-3-[(5-isoquinolin-6-yl-4-methyl-3-pyridinyl)oxy]propan-2-amine?
(2S)-1-(1H-indol-3-yl)-3-[(5-isoquinolin-6-yl-4-methyl-3-pyridinyl)oxy]propan-2-amine has a molecular weight of 408.51 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1H-indol-3-yl)-3-[(5-isoquinolin-6-yl-4-methyl-3-pyridinyl)oxy]propan-2-amine is sourced from PubChem (CID 23647575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).