5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(1-methylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C18H19FN8 — CID 168773129

IUPAC5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(1-methylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCN1CCC(Nc2ncc3c(-c4cc(F)c5ncnn5c4)c[nH]c3n2)CC1
InChIInChI=1S/C18H19FN8/c1-26-4-2-12(3-5-26)24-18-21-8-14-13(7-20-16(14)25-18)11-6-15(19)17-22-10-23-27(17)9-11/h6-10,12H,2-5H2,1H3,(H2,20,21,24,25)
InChIKeyGSBNKWWIUHNNPH-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.31
Rot. Bonds3

About 5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(1-methylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine

5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(1-methylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 168773129) has the molecular formula C18H19FN8 and a molecular weight of 366.40 g/mol. Its IUPAC name is 5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(1-methylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(1-methylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID168773129
Molecular FormulaC18H19FN8
Molecular Weight366.40 g/mol
Exact Mass366.17
IUPAC Name5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(1-methylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCN1CCC(Nc2ncc3c(-c4cc(F)c5ncnn5c4)c[nH]c3n2)CC1
InChIInChI=1S/C18H19FN8/c1-26-4-2-12(3-5-26)24-18-21-8-14-13(7-20-16(14)25-18)11-6-15(19)17-22-10-23-27(17)9-11/h6-10,12H,2-5H2,1H3,(H2,20,21,24,25)
InChIKeyGSBNKWWIUHNNPH-UHFFFAOYSA-N
XLogP2.31
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(1-methylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(1-methylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(1-methylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 168773129) is 5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(1-methylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(1-methylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(1-methylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine is CN1CCC(Nc2ncc3c(-c4cc(F)c5ncnn5c4)c[nH]c3n2)CC1.
What is the InChIKey of 5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(1-methylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is GSBNKWWIUHNNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN8/c1-26-4-2-12(3-5-26)24-18-21-8-14-13(7-20-16(14)25-18)11-6-15(19)17-22-10-23-27(17)9-11/h6-10,12H,2-5H2,1H3,(H2,20,21,24,25).
What are the key properties of 5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(1-methylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(1-methylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 366.40 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(1-methylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 168773129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).