N-[4-[[5-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide

C23H24N8O2 — CID 126484368

IUPACN-[4-[[5-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2nc(-c3ccccn3)nn3ccc(CN4CCOCC4)c23)ccn1
InChIInChI=1S/C23H24N8O2/c1-16(32)26-20-14-18(5-8-25-20)27-23-21-17(15-30-10-12-33-13-11-30)6-9-31(21)29-22(28-23)19-4-2-3-7-24-19/h2-9,14H,10-13,15H2,1H3,(H2,25,26,27,28,29,32)
InChIKeyGDGJWSLJIGCBGE-UHFFFAOYSA-N
MW444.50 g/mol
LogP2.72
Rot. Bonds6

About N-[4-[[5-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide

N-[4-[[5-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide (PubChem CID 126484368) has the molecular formula C23H24N8O2 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-[4-[[5-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
PubChem CID126484368
Molecular FormulaC23H24N8O2
Molecular Weight444.50 g/mol
Exact Mass444.20
IUPAC NameN-[4-[[5-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2nc(-c3ccccn3)nn3ccc(CN4CCOCC4)c23)ccn1
InChIInChI=1S/C23H24N8O2/c1-16(32)26-20-14-18(5-8-25-20)27-23-21-17(15-30-10-12-33-13-11-30)6-9-31(21)29-22(28-23)19-4-2-3-7-24-19/h2-9,14H,10-13,15H2,1H3,(H2,25,26,27,28,29,32)
InChIKeyGDGJWSLJIGCBGE-UHFFFAOYSA-N
XLogP2.72
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[[5-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[5-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide (CID 126484368) is N-[4-[[5-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[5-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[5-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2nc(-c3ccccn3)nn3ccc(CN4CCOCC4)c23)ccn1.
What is the InChIKey of N-[4-[[5-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide?
The InChIKey is GDGJWSLJIGCBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O2/c1-16(32)26-20-14-18(5-8-25-20)27-23-21-17(15-30-10-12-33-13-11-30)6-9-31(21)29-22(28-23)19-4-2-3-7-24-19/h2-9,14H,10-13,15H2,1H3,(H2,25,26,27,28,29,32).
What are the key properties of N-[4-[[5-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide?
N-[4-[[5-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide has a molecular weight of 444.50 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 126484368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).