ethyl 2-(6-methyl-2-pyridinyl)-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

C20H18N6O2 — CID 135262379

IUPACethyl 2-(6-methyl-2-pyridinyl)-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SMILESCCOC(=O)c1cc2c(Nc3ccncc3)nc(-c3cccc(C)n3)nn2c1
InChIInChI=1S/C20H18N6O2/c1-3-28-20(27)14-11-17-19(23-15-7-9-21-10-8-15)24-18(25-26(17)12-14)16-6-4-5-13(2)22-16/h4-12H,3H2,1-2H3,(H,21,23,24,25)
InChIKeyFBROCKJPVXIFPY-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.42
Rot. Bonds5

About ethyl 2-(6-methyl-2-pyridinyl)-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

ethyl 2-(6-methyl-2-pyridinyl)-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (PubChem CID 135262379) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is ethyl 2-(6-methyl-2-pyridinyl)-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(6-methyl-2-pyridinyl)-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
PubChem CID135262379
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Nameethyl 2-(6-methyl-2-pyridinyl)-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SMILESCCOC(=O)c1cc2c(Nc3ccncc3)nc(-c3cccc(C)n3)nn2c1
InChIInChI=1S/C20H18N6O2/c1-3-28-20(27)14-11-17-19(23-15-7-9-21-10-8-15)24-18(25-26(17)12-14)16-6-4-5-13(2)22-16/h4-12H,3H2,1-2H3,(H,21,23,24,25)
InChIKeyFBROCKJPVXIFPY-UHFFFAOYSA-N
XLogP3.42
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-(6-methyl-2-pyridinyl)-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-methyl-2-pyridinyl)-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The IUPAC name of ethyl 2-(6-methyl-2-pyridinyl)-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (CID 135262379) is ethyl 2-(6-methyl-2-pyridinyl)-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate.
What is the SMILES notation for ethyl 2-(6-methyl-2-pyridinyl)-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The canonical SMILES for ethyl 2-(6-methyl-2-pyridinyl)-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate is CCOC(=O)c1cc2c(Nc3ccncc3)nc(-c3cccc(C)n3)nn2c1.
What is the InChIKey of ethyl 2-(6-methyl-2-pyridinyl)-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The InChIKey is FBROCKJPVXIFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-3-28-20(27)14-11-17-19(23-15-7-9-21-10-8-15)24-18(25-26(17)12-14)16-6-4-5-13(2)22-16/h4-12H,3H2,1-2H3,(H,21,23,24,25).
What are the key properties of ethyl 2-(6-methyl-2-pyridinyl)-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
ethyl 2-(6-methyl-2-pyridinyl)-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate has a molecular weight of 374.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-methyl-2-pyridinyl)-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate is sourced from PubChem (CID 135262379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).