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

C16H15FN6 — CID 168773166

IUPACN-ethyl-5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCNc1ncc2c(-c3cc(F)c4ncc(C)n4c3)c[nH]c2n1
InChIInChI=1S/C16H15FN6/c1-3-18-16-21-7-12-11(6-19-14(12)22-16)10-4-13(17)15-20-5-9(2)23(15)8-10/h4-8H,3H2,1-2H3,(H2,18,19,21,22)
InChIKeyZBRUXPQDUGPXQO-UHFFFAOYSA-N
MW310.34 g/mol
LogP3.15
Rot. Bonds3

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

N-ethyl-5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 168773166) has the molecular formula C16H15FN6 and a molecular weight of 310.34 g/mol. Its IUPAC name is N-ethyl-5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID168773166
Molecular FormulaC16H15FN6
Molecular Weight310.34 g/mol
Exact Mass310.13
IUPAC NameN-ethyl-5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCNc1ncc2c(-c3cc(F)c4ncc(C)n4c3)c[nH]c2n1
InChIInChI=1S/C16H15FN6/c1-3-18-16-21-7-12-11(6-19-14(12)22-16)10-4-13(17)15-20-5-9(2)23(15)8-10/h4-8H,3H2,1-2H3,(H2,18,19,21,22)
InChIKeyZBRUXPQDUGPXQO-UHFFFAOYSA-N
XLogP3.15
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 168773166) is N-ethyl-5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine is CCNc1ncc2c(-c3cc(F)c4ncc(C)n4c3)c[nH]c2n1.
What is the InChIKey of N-ethyl-5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is ZBRUXPQDUGPXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6/c1-3-18-16-21-7-12-11(6-19-14(12)22-16)10-4-13(17)15-20-5-9(2)23(15)8-10/h4-8H,3H2,1-2H3,(H2,18,19,21,22).
What are the key properties of N-ethyl-5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
N-ethyl-5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 310.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 168773166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).