5-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]oxy-4-fluoro-N,2-dimethylindole-1-carboxamide

C17H17FN6O3 — CID 75037953

IUPAC5-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]oxy-4-fluoro-N,2-dimethylindole-1-carboxamide
SMILESCNC(=O)n1c(C)cc2c(F)c(Oc3ncnc(N)c3C=NOC)ccc21
InChIInChI=1S/C17H17FN6O3/c1-9-6-10-12(24(9)17(25)20-2)4-5-13(14(10)18)27-16-11(7-23-26-3)15(19)21-8-22-16/h4-8H,1-3H3,(H,20,25)(H2,19,21,22)
InChIKeyXPFQQTBWNRNELM-UHFFFAOYSA-N
MW372.36 g/mol
LogP2.42
Rot. Bonds4

About 5-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]oxy-4-fluoro-N,2-dimethylindole-1-carboxamide

5-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]oxy-4-fluoro-N,2-dimethylindole-1-carboxamide (PubChem CID 75037953) has the molecular formula C17H17FN6O3 and a molecular weight of 372.36 g/mol. Its IUPAC name is 5-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]oxy-4-fluoro-N,2-dimethylindole-1-carboxamide.

Molecular Properties

Compound Name5-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]oxy-4-fluoro-N,2-dimethylindole-1-carboxamide
PubChem CID75037953
Molecular FormulaC17H17FN6O3
Molecular Weight372.36 g/mol
Exact Mass372.13
IUPAC Name5-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]oxy-4-fluoro-N,2-dimethylindole-1-carboxamide
SMILESCNC(=O)n1c(C)cc2c(F)c(Oc3ncnc(N)c3C=NOC)ccc21
InChIInChI=1S/C17H17FN6O3/c1-9-6-10-12(24(9)17(25)20-2)4-5-13(14(10)18)27-16-11(7-23-26-3)15(19)21-8-22-16/h4-8H,1-3H3,(H,20,25)(H2,19,21,22)
InChIKeyXPFQQTBWNRNELM-UHFFFAOYSA-N
XLogP2.42
TPSA116.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]oxy-4-fluoro-N,2-dimethylindole-1-carboxamide?
The IUPAC name of 5-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]oxy-4-fluoro-N,2-dimethylindole-1-carboxamide (CID 75037953) is 5-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]oxy-4-fluoro-N,2-dimethylindole-1-carboxamide.
What is the SMILES notation for 5-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]oxy-4-fluoro-N,2-dimethylindole-1-carboxamide?
The canonical SMILES for 5-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]oxy-4-fluoro-N,2-dimethylindole-1-carboxamide is CNC(=O)n1c(C)cc2c(F)c(Oc3ncnc(N)c3C=NOC)ccc21.
What is the InChIKey of 5-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]oxy-4-fluoro-N,2-dimethylindole-1-carboxamide?
The InChIKey is XPFQQTBWNRNELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O3/c1-9-6-10-12(24(9)17(25)20-2)4-5-13(14(10)18)27-16-11(7-23-26-3)15(19)21-8-22-16/h4-8H,1-3H3,(H,20,25)(H2,19,21,22).
What are the key properties of 5-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]oxy-4-fluoro-N,2-dimethylindole-1-carboxamide?
5-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]oxy-4-fluoro-N,2-dimethylindole-1-carboxamide has a molecular weight of 372.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]oxy-4-fluoro-N,2-dimethylindole-1-carboxamide is sourced from PubChem (CID 75037953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).