4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-(2-methylphenyl)pyridine-2,4-diamine

C21H22N6 — CID 66804771

IUPAC4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-(2-methylphenyl)pyridine-2,4-diamine
SMILESCc1ccccc1-c1cc(NCCN)cc(Nc2n[nH]c3ccccc23)n1
InChIInChI=1S/C21H22N6/c1-14-6-2-3-7-16(14)19-12-15(23-11-10-22)13-20(24-19)25-21-17-8-4-5-9-18(17)26-27-21/h2-9,12-13H,10-11,22H2,1H3,(H3,23,24,25,26,27)
InChIKeyXQNUVGDZWQCLFW-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.05
Rot. Bonds6

About 4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-(2-methylphenyl)pyridine-2,4-diamine

4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-(2-methylphenyl)pyridine-2,4-diamine (PubChem CID 66804771) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-(2-methylphenyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-(2-methylphenyl)pyridine-2,4-diamine
PubChem CID66804771
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-(2-methylphenyl)pyridine-2,4-diamine
SMILESCc1ccccc1-c1cc(NCCN)cc(Nc2n[nH]c3ccccc23)n1
InChIInChI=1S/C21H22N6/c1-14-6-2-3-7-16(14)19-12-15(23-11-10-22)13-20(24-19)25-21-17-8-4-5-9-18(17)26-27-21/h2-9,12-13H,10-11,22H2,1H3,(H3,23,24,25,26,27)
InChIKeyXQNUVGDZWQCLFW-UHFFFAOYSA-N
XLogP4.05
TPSA91.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-(2-methylphenyl)pyridine-2,4-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

N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 6419766
5-cyclopropyl-6-(2,6-dimethylpyridin-4-yl)-~{N}-[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]-1~{H}-indazol-3-amine
CID 162679118
N'-(11H-indolo(3,2-c)quinolin-6-yl)-N,N-dimethylethane-1,2-diamine
CID 24204050
6-(3-Amino-2h-Indazol-6-Yl)-N~4~-Ethylpyrimidine-2,4-Diamine
CID 46214652
1-Tert-Butyl-3-[(1h-Indol-3-Yl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 129316173
N-(5-tert-butyl-1H-pyrazol-3-yl)-8-fluoro-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine
CID 137552747
6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-N-piperidin-4-ylpyrazin-2-amine
CID 67959617
N1-(6-(5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)ethane-1,2-diamine
CID 71254199
N',N'-dimethyl-N-(2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine
CID 1970320
N-benzyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4366552
3-hydrazinyl-5-methyl-5H-[1,2,4]triazino[5,6-b]indole
CID 5271119
3-hydrazinyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole
CID 6401261

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-(2-methylphenyl)pyridine-2,4-diamine?
The IUPAC name of 4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-(2-methylphenyl)pyridine-2,4-diamine (CID 66804771) is 4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-(2-methylphenyl)pyridine-2,4-diamine.
What is the SMILES notation for 4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-(2-methylphenyl)pyridine-2,4-diamine?
The canonical SMILES for 4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-(2-methylphenyl)pyridine-2,4-diamine is Cc1ccccc1-c1cc(NCCN)cc(Nc2n[nH]c3ccccc23)n1.
What is the InChIKey of 4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-(2-methylphenyl)pyridine-2,4-diamine?
The InChIKey is XQNUVGDZWQCLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-14-6-2-3-7-16(14)19-12-15(23-11-10-22)13-20(24-19)25-21-17-8-4-5-9-18(17)26-27-21/h2-9,12-13H,10-11,22H2,1H3,(H3,23,24,25,26,27).
What are the key properties of 4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-(2-methylphenyl)pyridine-2,4-diamine?
4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-(2-methylphenyl)pyridine-2,4-diamine has a molecular weight of 358.45 g/mol, XLogP of 4.05, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-(2-methylphenyl)pyridine-2,4-diamine is sourced from PubChem (CID 66804771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).