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

C23H26N8O2 — CID 126499976

IUPAC4-N-[2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine
SMILESCOc1cccc(-c2nc(Nc3ccnc(NCCN4CCOCC4)c3)c3cccn3n2)n1
InChIInChI=1S/C23H26N8O2/c1-32-21-6-2-4-18(27-21)22-28-23(19-5-3-10-31(19)29-22)26-17-7-8-24-20(16-17)25-9-11-30-12-14-33-15-13-30/h2-8,10,16H,9,11-15H2,1H3,(H2,24,25,26,28,29)
InChIKeyCFZJDQMFFDRTAE-UHFFFAOYSA-N
MW446.52 g/mol
LogP2.68
Rot. Bonds8

About 4-N-[2-(6-methoxy-2-pyridinyl)pyrrolo[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)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine (PubChem CID 126499976) has the molecular formula C23H26N8O2 and a molecular weight of 446.52 g/mol. Its IUPAC name is 4-N-[2-(6-methoxy-2-pyridinyl)pyrrolo[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)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine
PubChem CID126499976
Molecular FormulaC23H26N8O2
Molecular Weight446.52 g/mol
Exact Mass446.22
IUPAC Name4-N-[2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine
SMILESCOc1cccc(-c2nc(Nc3ccnc(NCCN4CCOCC4)c3)c3cccn3n2)n1
InChIInChI=1S/C23H26N8O2/c1-32-21-6-2-4-18(27-21)22-28-23(19-5-3-10-31(19)29-22)26-17-7-8-24-20(16-17)25-9-11-30-12-14-33-15-13-30/h2-8,10,16H,9,11-15H2,1H3,(H2,24,25,26,28,29)
InChIKeyCFZJDQMFFDRTAE-UHFFFAOYSA-N
XLogP2.68
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-N-[2-(6-methoxy-2-pyridinyl)pyrrolo[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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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(6-methoxy-2-pyridinyl)pyrrolo[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)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine (CID 126499976) is 4-N-[2-(6-methoxy-2-pyridinyl)pyrrolo[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)pyrrolo[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)pyrrolo[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)c3cccn3n2)n1.
What is the InChIKey of 4-N-[2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine?
The InChIKey is CFZJDQMFFDRTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O2/c1-32-21-6-2-4-18(27-21)22-28-23(19-5-3-10-31(19)29-22)26-17-7-8-24-20(16-17)25-9-11-30-12-14-33-15-13-30/h2-8,10,16H,9,11-15H2,1H3,(H2,24,25,26,28,29).
What are the key properties of 4-N-[2-(6-methoxy-2-pyridinyl)pyrrolo[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)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine has a molecular weight of 446.52 g/mol, XLogP of 2.68, 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)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine is sourced from PubChem (CID 126499976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).