4-ethyl-6-[5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine

C17H15N5O — CID 25165372

IUPAC4-ethyl-6-[5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
SMILESCCc1cc(-c2c[nH]c3ncc(-c4ccco4)cc23)nc(N)n1
InChIInChI=1S/C17H15N5O/c1-2-11-7-14(22-17(18)21-11)13-9-20-16-12(13)6-10(8-19-16)15-4-3-5-23-15/h3-9H,2H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyFUJVXFVFHBMKTN-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.42
Rot. Bonds3

About 4-ethyl-6-[5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine

4-ethyl-6-[5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 25165372) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 4-ethyl-6-[5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethyl-6-[5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
PubChem CID25165372
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name4-ethyl-6-[5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
SMILESCCc1cc(-c2c[nH]c3ncc(-c4ccco4)cc23)nc(N)n1
InChIInChI=1S/C17H15N5O/c1-2-11-7-14(22-17(18)21-11)13-9-20-16-12(13)6-10(8-19-16)15-4-3-5-23-15/h3-9H,2H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyFUJVXFVFHBMKTN-UHFFFAOYSA-N
XLogP3.42
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-6-[5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]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 4-ethyl-6-[5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-ethyl-6-[5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine (CID 25165372) is 4-ethyl-6-[5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethyl-6-[5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-ethyl-6-[5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine is CCc1cc(-c2c[nH]c3ncc(-c4ccco4)cc23)nc(N)n1.
What is the InChIKey of 4-ethyl-6-[5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is FUJVXFVFHBMKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-2-11-7-14(22-17(18)21-11)13-9-20-16-12(13)6-10(8-19-16)15-4-3-5-23-15/h3-9H,2H2,1H3,(H,19,20)(H2,18,21,22).
What are the key properties of 4-ethyl-6-[5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
4-ethyl-6-[5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 305.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 25165372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).