6-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]isoquinolin-5-amine

C25H23N5O — CID 23647590

IUPAC6-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]isoquinolin-5-amine
SMILESNc1c(-c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)ccc2cnccc12
InChIInChI=1S/C25H23N5O/c26-19(9-17-13-30-24-4-2-1-3-21(17)24)15-31-20-10-18(12-29-14-20)22-6-5-16-11-28-8-7-23(16)25(22)27/h1-8,10-14,19,30H,9,15,26-27H2/t19-/m0/s1
InChIKeyXDYREIZGNBPMPJ-IBGZPJMESA-N
MW409.49 g/mol
LogP4.31
Rot. Bonds6

About 6-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]isoquinolin-5-amine

6-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]isoquinolin-5-amine (PubChem CID 23647590) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is 6-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]isoquinolin-5-amine.

Molecular Properties

Compound Name6-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]isoquinolin-5-amine
PubChem CID23647590
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC Name6-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]isoquinolin-5-amine
SMILESNc1c(-c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)ccc2cnccc12
InChIInChI=1S/C25H23N5O/c26-19(9-17-13-30-24-4-2-1-3-21(17)24)15-31-20-10-18(12-29-14-20)22-6-5-16-11-28-8-7-23(16)25(22)27/h1-8,10-14,19,30H,9,15,26-27H2/t19-/m0/s1
InChIKeyXDYREIZGNBPMPJ-IBGZPJMESA-N
XLogP4.31
TPSA102.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]isoquinolin-5-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
9-Methoxy-2-methylellipticinium acetate
CID 362973
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
2-(3,7,8,9-Tetrahydro-pyrano[3,2-e]indol-1-yl)-ethylamine
CID 10353268
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
(2S)-1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridin-3-yl)oxy-propan-2-amine
CID 6914611
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-1H-indazole
CID 10126464

Frequently Asked Questions

What is the IUPAC name of 6-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]isoquinolin-5-amine?
The IUPAC name of 6-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]isoquinolin-5-amine (CID 23647590) is 6-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]isoquinolin-5-amine.
What is the SMILES notation for 6-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]isoquinolin-5-amine?
The canonical SMILES for 6-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]isoquinolin-5-amine is Nc1c(-c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)ccc2cnccc12.
What is the InChIKey of 6-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]isoquinolin-5-amine?
The InChIKey is XDYREIZGNBPMPJ-IBGZPJMESA-N. The full InChI is InChI=1S/C25H23N5O/c26-19(9-17-13-30-24-4-2-1-3-21(17)24)15-31-20-10-18(12-29-14-20)22-6-5-16-11-28-8-7-23(16)25(22)27/h1-8,10-14,19,30H,9,15,26-27H2/t19-/m0/s1.
What are the key properties of 6-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]isoquinolin-5-amine?
6-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]isoquinolin-5-amine has a molecular weight of 409.49 g/mol, XLogP of 4.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]isoquinolin-5-amine is sourced from PubChem (CID 23647590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).