N-[2-(1H-indol-3-yl)ethyl]-2,6-dipyridin-3-ylpyrimidin-4-amine

C24H20N6 — CID 5059317

IUPACN-[2-(1H-indol-3-yl)ethyl]-2,6-dipyridin-3-ylpyrimidin-4-amine
SMILESc1cncc(-c2cc(NCCc3c[nH]c4ccccc34)nc(-c3cccnc3)n2)c1
InChIInChI=1S/C24H20N6/c1-2-8-21-20(7-1)17(16-28-21)9-12-27-23-13-22(18-5-3-10-25-14-18)29-24(30-23)19-6-4-11-26-15-19/h1-8,10-11,13-16,28H,9,12H2,(H,27,29,30)
InChIKeyHPFSPWMUDOKQHN-UHFFFAOYSA-N
MW392.47 g/mol
LogP4.74
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-2,6-dipyridin-3-ylpyrimidin-4-amine

N-[2-(1H-indol-3-yl)ethyl]-2,6-dipyridin-3-ylpyrimidin-4-amine (PubChem CID 5059317) has the molecular formula C24H20N6 and a molecular weight of 392.47 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2,6-dipyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2,6-dipyridin-3-ylpyrimidin-4-amine
PubChem CID5059317
Molecular FormulaC24H20N6
Molecular Weight392.47 g/mol
Exact Mass392.17
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2,6-dipyridin-3-ylpyrimidin-4-amine
SMILESc1cncc(-c2cc(NCCc3c[nH]c4ccccc34)nc(-c3cccnc3)n2)c1
InChIInChI=1S/C24H20N6/c1-2-8-21-20(7-1)17(16-28-21)9-12-27-23-13-22(18-5-3-10-25-14-18)29-24(30-23)19-6-4-11-26-15-19/h1-8,10-11,13-16,28H,9,12H2,(H,27,29,30)
InChIKeyHPFSPWMUDOKQHN-UHFFFAOYSA-N
XLogP4.74
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(1H-indol-3-yl)ethyl]-2,6-dipyridin-3-ylpyrimidin-4-amine 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

N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-amine
CID 69184531
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine
CID 24862955
6-N-[2-(1H-indol-3-yl)ethyl]-4-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880267
4-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932553
2-(1H-indol-3-yl)-N-[(3-pyridin-3-ylphenyl)methyl]ethanamine
CID 150264043
N-[2-(1H-indol-3-yl)ethyl]-2H-triazol-4-amine
CID 54260739
3-(1H-indol-3-yl)-2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol
CID 69180620
2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 135376472
2-[2-(1H-indol-3-yl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109171814
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935022
2-(5-fluoro-3-pyridinyl)-6-N-[2-(1H-indol-3-yl)ethyl]-4-N-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 140944571
3-[(2,6-dipyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol
CID 3479964

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2,6-dipyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2,6-dipyridin-3-ylpyrimidin-4-amine (CID 5059317) is N-[2-(1H-indol-3-yl)ethyl]-2,6-dipyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2,6-dipyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2,6-dipyridin-3-ylpyrimidin-4-amine is c1cncc(-c2cc(NCCc3c[nH]c4ccccc34)nc(-c3cccnc3)n2)c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2,6-dipyridin-3-ylpyrimidin-4-amine?
The InChIKey is HPFSPWMUDOKQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6/c1-2-8-21-20(7-1)17(16-28-21)9-12-27-23-13-22(18-5-3-10-25-14-18)29-24(30-23)19-6-4-11-26-15-19/h1-8,10-11,13-16,28H,9,12H2,(H,27,29,30).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2,6-dipyridin-3-ylpyrimidin-4-amine?
N-[2-(1H-indol-3-yl)ethyl]-2,6-dipyridin-3-ylpyrimidin-4-amine has a molecular weight of 392.47 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2,6-dipyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 5059317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).