4-N-[2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine

C24H28N8O2 — CID 135262205

IUPAC4-N-[2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine
SMILESCOc1cccc(-c2nc(Nc3ccnc(NCCN4CCOCC4)c3)c3c(C)ccn3n2)n1
InChIInChI=1S/C24H28N8O2/c1-17-7-10-32-22(17)24(29-23(30-32)19-4-3-5-21(28-19)33-2)27-18-6-8-25-20(16-18)26-9-11-31-12-14-34-15-13-31/h3-8,10,16H,9,11-15H2,1-2H3,(H2,25,26,27,29,30)
InChIKeyPTXZFJRSOOXAJD-UHFFFAOYSA-N
MW460.54 g/mol
LogP2.99
Rot. Bonds8

About 4-N-[2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine

4-N-[2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine (PubChem CID 135262205) has the molecular formula C24H28N8O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 4-N-[2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine
PubChem CID135262205
Molecular FormulaC24H28N8O2
Molecular Weight460.54 g/mol
Exact Mass460.23
IUPAC Name4-N-[2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine
SMILESCOc1cccc(-c2nc(Nc3ccnc(NCCN4CCOCC4)c3)c3c(C)ccn3n2)n1
InChIInChI=1S/C24H28N8O2/c1-17-7-10-32-22(17)24(29-23(30-32)19-4-3-5-21(28-19)33-2)27-18-6-8-25-20(16-18)26-9-11-31-12-14-34-15-13-31/h3-8,10,16H,9,11-15H2,1-2H3,(H2,25,26,27,29,30)
InChIKeyPTXZFJRSOOXAJD-UHFFFAOYSA-N
XLogP2.99
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-N-[2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-N-[2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyridine-2,4-diamine
CID 126484360
4-methoxy-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 112683355
2-N-(2-morpholin-4-ylethyl)-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine
CID 58883351
2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887341
6-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 117094011
4-N-(2-ethyl-6-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112857635
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887463
6-methoxy-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 63589886
6-methoxy-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66325980
N-[3-[[4-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112887387
4-methyl-3-N-[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]benzene-1,3-diamine
CID 67175089
5-bromo-4-methyl-N-(2-morpholin-4-ylethyl)pyridin-2-amine
CID 113340018

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine?
The IUPAC name of 4-N-[2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine (CID 135262205) is 4-N-[2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine?
The canonical SMILES for 4-N-[2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine is COc1cccc(-c2nc(Nc3ccnc(NCCN4CCOCC4)c3)c3c(C)ccn3n2)n1.
What is the InChIKey of 4-N-[2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine?
The InChIKey is PTXZFJRSOOXAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O2/c1-17-7-10-32-22(17)24(29-23(30-32)19-4-3-5-21(28-19)33-2)27-18-6-8-25-20(16-18)26-9-11-31-12-14-34-15-13-31/h3-8,10,16H,9,11-15H2,1-2H3,(H2,25,26,27,29,30).
What are the key properties of 4-N-[2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine?
4-N-[2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine has a molecular weight of 460.54 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine is sourced from PubChem (CID 135262205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).