4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxylic acid

C18H13FN6O2 — CID 135262390

IUPAC4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxylic acid
SMILESCc1nc(-c2nc(Nc3ccncc3C(=O)O)c3cccn3n2)ccc1F
InChIInChI=1S/C18H13FN6O2/c1-10-12(19)4-5-14(21-10)16-23-17(15-3-2-8-25(15)24-16)22-13-6-7-20-9-11(13)18(26)27/h2-9H,1H3,(H,26,27)(H,20,22,23,24)
InChIKeyKLZZCWQEXYQCHP-UHFFFAOYSA-N
MW364.34 g/mol
LogP3.08
Rot. Bonds4

About 4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxylic acid

4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxylic acid (PubChem CID 135262390) has the molecular formula C18H13FN6O2 and a molecular weight of 364.34 g/mol. Its IUPAC name is 4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxylic acid
PubChem CID135262390
Molecular FormulaC18H13FN6O2
Molecular Weight364.34 g/mol
Exact Mass364.11
IUPAC Name4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxylic acid
SMILESCc1nc(-c2nc(Nc3ccncc3C(=O)O)c3cccn3n2)ccc1F
InChIInChI=1S/C18H13FN6O2/c1-10-12(19)4-5-14(21-10)16-23-17(15-3-2-8-25(15)24-16)22-13-6-7-20-9-11(13)18(26)27/h2-9H,1H3,(H,26,27)(H,20,22,23,24)
InChIKeyKLZZCWQEXYQCHP-UHFFFAOYSA-N
XLogP3.08
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxylic acid (CID 135262390) is 4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxylic acid is Cc1nc(-c2nc(Nc3ccncc3C(=O)O)c3cccn3n2)ccc1F.
What is the InChIKey of 4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is KLZZCWQEXYQCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6O2/c1-10-12(19)4-5-14(21-10)16-23-17(15-3-2-8-25(15)24-16)22-13-6-7-20-9-11(13)18(26)27/h2-9H,1H3,(H,26,27)(H,20,22,23,24).
What are the key properties of 4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxylic acid?
4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 364.34 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 135262390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).