N-(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C20H19FN8O — CID 22273633

IUPACN-(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1cc2c(F)c(Nc3ncnn4cc(-c5nnc(C)o5)c(C(C)C)c34)cnc2[nH]1
InChIInChI=1S/C20H19FN8O/c1-9(2)15-13(20-28-27-11(4)30-20)7-29-17(15)19(23-8-24-29)26-14-6-22-18-12(16(14)21)5-10(3)25-18/h5-9H,1-4H3,(H,22,25)(H,23,24,26)
InChIKeyIXYUGLGTMIXVHB-UHFFFAOYSA-N
MW406.43 g/mol
LogP4.28
Rot. Bonds4

About N-(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

N-(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 22273633) has the molecular formula C20H19FN8O and a molecular weight of 406.43 g/mol. Its IUPAC name is N-(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID22273633
Molecular FormulaC20H19FN8O
Molecular Weight406.43 g/mol
Exact Mass406.17
IUPAC NameN-(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1cc2c(F)c(Nc3ncnn4cc(-c5nnc(C)o5)c(C(C)C)c34)cnc2[nH]1
InChIInChI=1S/C20H19FN8O/c1-9(2)15-13(20-28-27-11(4)30-20)7-29-17(15)19(23-8-24-29)26-14-6-22-18-12(16(14)21)5-10(3)25-18/h5-9H,1-4H3,(H,22,25)(H,23,24,26)
InChIKeyIXYUGLGTMIXVHB-UHFFFAOYSA-N
XLogP4.28
TPSA109.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 22273633) is N-(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is Cc1cc2c(F)c(Nc3ncnn4cc(-c5nnc(C)o5)c(C(C)C)c34)cnc2[nH]1.
What is the InChIKey of N-(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is IXYUGLGTMIXVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN8O/c1-9(2)15-13(20-28-27-11(4)30-20)7-29-17(15)19(23-8-24-29)26-14-6-22-18-12(16(14)21)5-10(3)25-18/h5-9H,1-4H3,(H,22,25)(H,23,24,26).
What are the key properties of N-(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 406.43 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 22273633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).