7-(3,5-dimethyltriazol-4-yl)-6-fluoro-5H-pyrido[3,2-b]indole-3-carboxylic acid

C16H12FN5O2 — CID 122688372

IUPAC7-(3,5-dimethyltriazol-4-yl)-6-fluoro-5H-pyrido[3,2-b]indole-3-carboxylic acid
SMILESCc1nnn(C)c1-c1ccc2c([nH]c3cc(C(=O)O)cnc32)c1F
InChIInChI=1S/C16H12FN5O2/c1-7-15(22(2)21-20-7)9-3-4-10-13-11(19-14(10)12(9)17)5-8(6-18-13)16(23)24/h3-6,19H,1-2H3,(H,23,24)
InChIKeyKOSFJDFFULWGOZ-UHFFFAOYSA-N
MW325.30 g/mol
LogP2.66
Rot. Bonds2

About 7-(3,5-dimethyltriazol-4-yl)-6-fluoro-5H-pyrido[3,2-b]indole-3-carboxylic acid

7-(3,5-dimethyltriazol-4-yl)-6-fluoro-5H-pyrido[3,2-b]indole-3-carboxylic acid (PubChem CID 122688372) has the molecular formula C16H12FN5O2 and a molecular weight of 325.30 g/mol. Its IUPAC name is 7-(3,5-dimethyltriazol-4-yl)-6-fluoro-5H-pyrido[3,2-b]indole-3-carboxylic acid.

Molecular Properties

Compound Name7-(3,5-dimethyltriazol-4-yl)-6-fluoro-5H-pyrido[3,2-b]indole-3-carboxylic acid
PubChem CID122688372
Molecular FormulaC16H12FN5O2
Molecular Weight325.30 g/mol
Exact Mass325.10
IUPAC Name7-(3,5-dimethyltriazol-4-yl)-6-fluoro-5H-pyrido[3,2-b]indole-3-carboxylic acid
SMILESCc1nnn(C)c1-c1ccc2c([nH]c3cc(C(=O)O)cnc32)c1F
InChIInChI=1S/C16H12FN5O2/c1-7-15(22(2)21-20-7)9-3-4-10-13-11(19-14(10)12(9)17)5-8(6-18-13)16(23)24/h3-6,19H,1-2H3,(H,23,24)
InChIKeyKOSFJDFFULWGOZ-UHFFFAOYSA-N
XLogP2.66
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyltriazol-4-yl)-6-fluoro-5H-pyrido[3,2-b]indole-3-carboxylic acid?
The IUPAC name of 7-(3,5-dimethyltriazol-4-yl)-6-fluoro-5H-pyrido[3,2-b]indole-3-carboxylic acid (CID 122688372) is 7-(3,5-dimethyltriazol-4-yl)-6-fluoro-5H-pyrido[3,2-b]indole-3-carboxylic acid.
What is the SMILES notation for 7-(3,5-dimethyltriazol-4-yl)-6-fluoro-5H-pyrido[3,2-b]indole-3-carboxylic acid?
The canonical SMILES for 7-(3,5-dimethyltriazol-4-yl)-6-fluoro-5H-pyrido[3,2-b]indole-3-carboxylic acid is Cc1nnn(C)c1-c1ccc2c([nH]c3cc(C(=O)O)cnc32)c1F.
What is the InChIKey of 7-(3,5-dimethyltriazol-4-yl)-6-fluoro-5H-pyrido[3,2-b]indole-3-carboxylic acid?
The InChIKey is KOSFJDFFULWGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O2/c1-7-15(22(2)21-20-7)9-3-4-10-13-11(19-14(10)12(9)17)5-8(6-18-13)16(23)24/h3-6,19H,1-2H3,(H,23,24).
What are the key properties of 7-(3,5-dimethyltriazol-4-yl)-6-fluoro-5H-pyrido[3,2-b]indole-3-carboxylic acid?
7-(3,5-dimethyltriazol-4-yl)-6-fluoro-5H-pyrido[3,2-b]indole-3-carboxylic acid has a molecular weight of 325.30 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyltriazol-4-yl)-6-fluoro-5H-pyrido[3,2-b]indole-3-carboxylic acid is sourced from PubChem (CID 122688372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).