7-amino-8-(3-fluoro-5-methyl-2H-indazol-4-yl)quinoxaline-6-carboxamide

C17H13FN6O — CID 171645117

IUPAC7-amino-8-(3-fluoro-5-methyl-2H-indazol-4-yl)quinoxaline-6-carboxamide
SMILESCc1ccc2n[nH]c(F)c2c1-c1c(N)c(C(N)=O)cc2nccnc12
InChIInChI=1S/C17H13FN6O/c1-7-2-3-9-12(16(18)24-23-9)11(7)13-14(19)8(17(20)25)6-10-15(13)22-5-4-21-10/h2-6H,19H2,1H3,(H2,20,25)(H,23,24)
InChIKeyDKAHIUYBAZLGJR-UHFFFAOYSA-N
MW336.33 g/mol
LogP2.30
Rot. Bonds2

About 7-amino-8-(3-fluoro-5-methyl-2H-indazol-4-yl)quinoxaline-6-carboxamide

7-amino-8-(3-fluoro-5-methyl-2H-indazol-4-yl)quinoxaline-6-carboxamide (PubChem CID 171645117) has the molecular formula C17H13FN6O and a molecular weight of 336.33 g/mol. Its IUPAC name is 7-amino-8-(3-fluoro-5-methyl-2H-indazol-4-yl)quinoxaline-6-carboxamide.

Molecular Properties

Compound Name7-amino-8-(3-fluoro-5-methyl-2H-indazol-4-yl)quinoxaline-6-carboxamide
PubChem CID171645117
Molecular FormulaC17H13FN6O
Molecular Weight336.33 g/mol
Exact Mass336.11
IUPAC Name7-amino-8-(3-fluoro-5-methyl-2H-indazol-4-yl)quinoxaline-6-carboxamide
SMILESCc1ccc2n[nH]c(F)c2c1-c1c(N)c(C(N)=O)cc2nccnc12
InChIInChI=1S/C17H13FN6O/c1-7-2-3-9-12(16(18)24-23-9)11(7)13-14(19)8(17(20)25)6-10-15(13)22-5-4-21-10/h2-6H,19H2,1H3,(H2,20,25)(H,23,24)
InChIKeyDKAHIUYBAZLGJR-UHFFFAOYSA-N
XLogP2.30
TPSA123.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-8-(3-fluoro-5-methyl-2H-indazol-4-yl)quinoxaline-6-carboxamide?
The IUPAC name of 7-amino-8-(3-fluoro-5-methyl-2H-indazol-4-yl)quinoxaline-6-carboxamide (CID 171645117) is 7-amino-8-(3-fluoro-5-methyl-2H-indazol-4-yl)quinoxaline-6-carboxamide.
What is the SMILES notation for 7-amino-8-(3-fluoro-5-methyl-2H-indazol-4-yl)quinoxaline-6-carboxamide?
The canonical SMILES for 7-amino-8-(3-fluoro-5-methyl-2H-indazol-4-yl)quinoxaline-6-carboxamide is Cc1ccc2n[nH]c(F)c2c1-c1c(N)c(C(N)=O)cc2nccnc12.
What is the InChIKey of 7-amino-8-(3-fluoro-5-methyl-2H-indazol-4-yl)quinoxaline-6-carboxamide?
The InChIKey is DKAHIUYBAZLGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6O/c1-7-2-3-9-12(16(18)24-23-9)11(7)13-14(19)8(17(20)25)6-10-15(13)22-5-4-21-10/h2-6H,19H2,1H3,(H2,20,25)(H,23,24).
What are the key properties of 7-amino-8-(3-fluoro-5-methyl-2H-indazol-4-yl)quinoxaline-6-carboxamide?
7-amino-8-(3-fluoro-5-methyl-2H-indazol-4-yl)quinoxaline-6-carboxamide has a molecular weight of 336.33 g/mol, XLogP of 2.30, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8-(3-fluoro-5-methyl-2H-indazol-4-yl)quinoxaline-6-carboxamide is sourced from PubChem (CID 171645117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).