methyl 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxylate

C19H16N6O2 — CID 126499612

IUPACmethyl 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cnccc1Nc1nc(-c2cccc(C)n2)nn2cccc12
InChIInChI=1S/C19H16N6O2/c1-12-5-3-6-15(21-12)17-23-18(16-7-4-10-25(16)24-17)22-14-8-9-20-11-13(14)19(26)27-2/h3-11H,1-2H3,(H,20,22,23,24)
InChIKeyHCZYELUYNOHDST-UHFFFAOYSA-N
MW360.38 g/mol
LogP3.02
Rot. Bonds4

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

methyl 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxylate (PubChem CID 126499612) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is methyl 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxylate
PubChem CID126499612
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Namemethyl 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cnccc1Nc1nc(-c2cccc(C)n2)nn2cccc12
InChIInChI=1S/C19H16N6O2/c1-12-5-3-6-15(21-12)17-23-18(16-7-4-10-25(16)24-17)22-14-8-9-20-11-13(14)19(26)27-2/h3-11H,1-2H3,(H,20,22,23,24)
InChIKeyHCZYELUYNOHDST-UHFFFAOYSA-N
XLogP3.02
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxylate (CID 126499612) is methyl 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxylate is COC(=O)c1cnccc1Nc1nc(-c2cccc(C)n2)nn2cccc12.
What is the InChIKey of methyl 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxylate?
The InChIKey is HCZYELUYNOHDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-12-5-3-6-15(21-12)17-23-18(16-7-4-10-25(16)24-17)22-14-8-9-20-11-13(14)19(26)27-2/h3-11H,1-2H3,(H,20,22,23,24).
What are the key properties of methyl 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxylate?
methyl 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxylate has a molecular weight of 360.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 126499612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).