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

C19H17FN8O — CID 22273608

IUPACN-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1noc(-c2cn3ncnc(Nc4cnc5[nH]ccc5c4F)c3c2C(C)C)n1
InChIInChI=1S/C19H17FN8O/c1-9(2)14-12(19-25-10(3)27-29-19)7-28-16(14)18(23-8-24-28)26-13-6-22-17-11(15(13)20)4-5-21-17/h4-9H,1-3H3,(H,21,22)(H,23,24,26)
InChIKeyDNLFTHMQMOVEOZ-UHFFFAOYSA-N
MW392.40 g/mol
LogP3.97
Rot. Bonds4

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

N-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 22273608) has the molecular formula C19H17FN8O and a molecular weight of 392.40 g/mol. Its IUPAC name is N-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID22273608
Molecular FormulaC19H17FN8O
Molecular Weight392.40 g/mol
Exact Mass392.15
IUPAC NameN-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1noc(-c2cn3ncnc(Nc4cnc5[nH]ccc5c4F)c3c2C(C)C)n1
InChIInChI=1S/C19H17FN8O/c1-9(2)14-12(19-25-10(3)27-29-19)7-28-16(14)18(23-8-24-28)26-13-6-22-17-11(15(13)20)4-5-21-17/h4-9H,1-3H3,(H,21,22)(H,23,24,26)
InChIKeyDNLFTHMQMOVEOZ-UHFFFAOYSA-N
XLogP3.97
TPSA109.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(3-methyl-1,2,4-oxadiazol-5-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-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 22273608) is N-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is Cc1noc(-c2cn3ncnc(Nc4cnc5[nH]ccc5c4F)c3c2C(C)C)n1.
What is the InChIKey of N-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is DNLFTHMQMOVEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN8O/c1-9(2)14-12(19-25-10(3)27-29-19)7-28-16(14)18(23-8-24-28)26-13-6-22-17-11(15(13)20)4-5-21-17/h4-9H,1-3H3,(H,21,22)(H,23,24,26).
What are the key properties of N-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 392.40 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 22273608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).