3-N-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-N-isoquinolin-5-ylpyridine-3,5-diamine

C25H24N6 — CID 10173098

IUPAC3-N-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-N-isoquinolin-5-ylpyridine-3,5-diamine
SMILESN[C@H](CNc1cncc(Nc2cccc3cnccc23)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C25H24N6/c26-19(10-18-13-30-24-6-2-1-5-22(18)24)14-29-20-11-21(16-28-15-20)31-25-7-3-4-17-12-27-9-8-23(17)25/h1-9,11-13,15-16,19,29-31H,10,14,26H2/t19-/m0/s1
InChIKeyZTSGMPMNVIVHKB-IBGZPJMESA-N
MW408.51 g/mol
LogP4.84
Rot. Bonds7

About 3-N-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-N-isoquinolin-5-ylpyridine-3,5-diamine

3-N-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-N-isoquinolin-5-ylpyridine-3,5-diamine (PubChem CID 10173098) has the molecular formula C25H24N6 and a molecular weight of 408.51 g/mol. Its IUPAC name is 3-N-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-N-isoquinolin-5-ylpyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-N-isoquinolin-5-ylpyridine-3,5-diamine
PubChem CID10173098
Molecular FormulaC25H24N6
Molecular Weight408.51 g/mol
Exact Mass408.21
IUPAC Name3-N-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-N-isoquinolin-5-ylpyridine-3,5-diamine
SMILESN[C@H](CNc1cncc(Nc2cccc3cnccc23)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C25H24N6/c26-19(10-18-13-30-24-6-2-1-5-22(18)24)14-29-20-11-21(16-28-15-20)31-25-7-3-4-17-12-27-9-8-23(17)25/h1-9,11-13,15-16,19,29-31H,10,14,26H2/t19-/m0/s1
InChIKeyZTSGMPMNVIVHKB-IBGZPJMESA-N
XLogP4.84
TPSA91.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 54.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-N-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-N-isoquinolin-5-ylpyridine-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Beta-Carboline
CID 64961
Ellipticine
CID 3213
(-)-Agroclavine
CID 73484
Harman
CID 5281404
Festuclavine
CID 332915
Serdemetan
CID 11609586
6,8-Dimethyl-8,9-didehydroergoline
CID 287403
Flortaucipir F-18
CID 70957463
Flortaucipir
CID 71059746
CY 208-243
CID 58144
N-Skatylpiperidine
CID 21454
3-(2-(4-Pyridyl)ethyl)indole
CID 27934

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-N-isoquinolin-5-ylpyridine-3,5-diamine?
The IUPAC name of 3-N-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-N-isoquinolin-5-ylpyridine-3,5-diamine (CID 10173098) is 3-N-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-N-isoquinolin-5-ylpyridine-3,5-diamine.
What is the SMILES notation for 3-N-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-N-isoquinolin-5-ylpyridine-3,5-diamine?
The canonical SMILES for 3-N-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-N-isoquinolin-5-ylpyridine-3,5-diamine is N[C@H](CNc1cncc(Nc2cccc3cnccc23)c1)Cc1c[nH]c2ccccc12.
What is the InChIKey of 3-N-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-N-isoquinolin-5-ylpyridine-3,5-diamine?
The InChIKey is ZTSGMPMNVIVHKB-IBGZPJMESA-N. The full InChI is InChI=1S/C25H24N6/c26-19(10-18-13-30-24-6-2-1-5-22(18)24)14-29-20-11-21(16-28-15-20)31-25-7-3-4-17-12-27-9-8-23(17)25/h1-9,11-13,15-16,19,29-31H,10,14,26H2/t19-/m0/s1.
What are the key properties of 3-N-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-N-isoquinolin-5-ylpyridine-3,5-diamine?
3-N-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-N-isoquinolin-5-ylpyridine-3,5-diamine has a molecular weight of 408.51 g/mol, XLogP of 4.84, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-N-isoquinolin-5-ylpyridine-3,5-diamine is sourced from PubChem (CID 10173098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).