N-[4-[(6-fluoro-4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]acetamide

C23H24FN7O2 — CID 170642459

IUPACN-[4-[(6-fluoro-4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]acetamide
SMILESCOc1nc(NC2CCC(NC(C)=O)CC2)nn2cc(F)c(-c3ccc4nccnc4c3)c12
InChIInChI=1S/C23H24FN7O2/c1-13(32)27-15-4-6-16(7-5-15)28-23-29-22(33-2)21-20(17(24)12-31(21)30-23)14-3-8-18-19(11-14)26-10-9-25-18/h3,8-12,15-16H,4-7H2,1-2H3,(H,27,32)(H,28,30)
InChIKeyRHKYYLUUZILWMN-UHFFFAOYSA-N
MW449.49 g/mol
LogP3.35
Rot. Bonds5

About N-[4-[(6-fluoro-4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]acetamide

N-[4-[(6-fluoro-4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]acetamide (PubChem CID 170642459) has the molecular formula C23H24FN7O2 and a molecular weight of 449.49 g/mol. Its IUPAC name is N-[4-[(6-fluoro-4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[(6-fluoro-4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]acetamide
PubChem CID170642459
Molecular FormulaC23H24FN7O2
Molecular Weight449.49 g/mol
Exact Mass449.20
IUPAC NameN-[4-[(6-fluoro-4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]acetamide
SMILESCOc1nc(NC2CCC(NC(C)=O)CC2)nn2cc(F)c(-c3ccc4nccnc4c3)c12
InChIInChI=1S/C23H24FN7O2/c1-13(32)27-15-4-6-16(7-5-15)28-23-29-22(33-2)21-20(17(24)12-31(21)30-23)14-3-8-18-19(11-14)26-10-9-25-18/h3,8-12,15-16H,4-7H2,1-2H3,(H,27,32)(H,28,30)
InChIKeyRHKYYLUUZILWMN-UHFFFAOYSA-N
XLogP3.35
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-fluoro-4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[(6-fluoro-4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]acetamide (CID 170642459) is N-[4-[(6-fluoro-4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[(6-fluoro-4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[(6-fluoro-4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]acetamide is COc1nc(NC2CCC(NC(C)=O)CC2)nn2cc(F)c(-c3ccc4nccnc4c3)c12.
What is the InChIKey of N-[4-[(6-fluoro-4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]acetamide?
The InChIKey is RHKYYLUUZILWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O2/c1-13(32)27-15-4-6-16(7-5-15)28-23-29-22(33-2)21-20(17(24)12-31(21)30-23)14-3-8-18-19(11-14)26-10-9-25-18/h3,8-12,15-16H,4-7H2,1-2H3,(H,27,32)(H,28,30).
What are the key properties of N-[4-[(6-fluoro-4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]acetamide?
N-[4-[(6-fluoro-4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]acetamide has a molecular weight of 449.49 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-fluoro-4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]acetamide is sourced from PubChem (CID 170642459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).