1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]azetidin-1-yl]ethanone

C18H18N8O2 — CID 170641808

IUPAC1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]azetidin-1-yl]ethanone
SMILESCOc1nc(NC2CN(C(C)=O)C2)nn2ccc(-c3cnc4nccn4c3)c12
InChIInChI=1S/C18H18N8O2/c1-11(27)25-9-13(10-25)21-17-22-16(28-2)15-14(3-5-26(15)23-17)12-7-20-18-19-4-6-24(18)8-12/h3-8,13H,9-10H2,1-2H3,(H,21,23)
InChIKeyBZCJDBXMHPRGQD-UHFFFAOYSA-N
MW378.40 g/mol
LogP1.09
Rot. Bonds4

About 1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]azetidin-1-yl]ethanone

1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]azetidin-1-yl]ethanone (PubChem CID 170641808) has the molecular formula C18H18N8O2 and a molecular weight of 378.40 g/mol. Its IUPAC name is 1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]azetidin-1-yl]ethanone
PubChem CID170641808
Molecular FormulaC18H18N8O2
Molecular Weight378.40 g/mol
Exact Mass378.16
IUPAC Name1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]azetidin-1-yl]ethanone
SMILESCOc1nc(NC2CN(C(C)=O)C2)nn2ccc(-c3cnc4nccn4c3)c12
InChIInChI=1S/C18H18N8O2/c1-11(27)25-9-13(10-25)21-17-22-16(28-2)15-14(3-5-26(15)23-17)12-7-20-18-19-4-6-24(18)8-12/h3-8,13H,9-10H2,1-2H3,(H,21,23)
InChIKeyBZCJDBXMHPRGQD-UHFFFAOYSA-N
XLogP1.09
TPSA101.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]azetidin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]azetidin-1-yl]ethanone (CID 170641808) is 1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]azetidin-1-yl]ethanone is COc1nc(NC2CN(C(C)=O)C2)nn2ccc(-c3cnc4nccn4c3)c12.
What is the InChIKey of 1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]azetidin-1-yl]ethanone?
The InChIKey is BZCJDBXMHPRGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O2/c1-11(27)25-9-13(10-25)21-17-22-16(28-2)15-14(3-5-26(15)23-17)12-7-20-18-19-4-6-24(18)8-12/h3-8,13H,9-10H2,1-2H3,(H,21,23).
What are the key properties of 1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]azetidin-1-yl]ethanone?
1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]azetidin-1-yl]ethanone has a molecular weight of 378.40 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]azetidin-1-yl]ethanone is sourced from PubChem (CID 170641808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).