4-[3-(furan-3-yl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine

C15H11N5O — CID 71580834

IUPAC4-[3-(furan-3-yl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine
SMILESNc1nccc(-n2cc(-c3ccoc3)c3cnccc32)n1
InChIInChI=1S/C15H11N5O/c16-15-18-5-2-14(19-15)20-8-12(10-3-6-21-9-10)11-7-17-4-1-13(11)20/h1-9H,(H2,16,18,19)
InChIKeyHQXQQINRSRUUEJ-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.66
Rot. Bonds2

About 4-[3-(furan-3-yl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine

4-[3-(furan-3-yl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine (PubChem CID 71580834) has the molecular formula C15H11N5O and a molecular weight of 277.29 g/mol. Its IUPAC name is 4-[3-(furan-3-yl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(furan-3-yl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine
PubChem CID71580834
Molecular FormulaC15H11N5O
Molecular Weight277.29 g/mol
Exact Mass277.10
IUPAC Name4-[3-(furan-3-yl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine
SMILESNc1nccc(-n2cc(-c3ccoc3)c3cnccc32)n1
InChIInChI=1S/C15H11N5O/c16-15-18-5-2-14(19-15)20-8-12(10-3-6-21-9-10)11-7-17-4-1-13(11)20/h1-9H,(H2,16,18,19)
InChIKeyHQXQQINRSRUUEJ-UHFFFAOYSA-N
XLogP2.66
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[3-(furan-3-yl)pyrrolo[3,2-c]pyridin-1-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-[3-(furan-3-yl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-[3-(furan-3-yl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine (CID 71580834) is 4-[3-(furan-3-yl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(furan-3-yl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[3-(furan-3-yl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine is Nc1nccc(-n2cc(-c3ccoc3)c3cnccc32)n1.
What is the InChIKey of 4-[3-(furan-3-yl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine?
The InChIKey is HQXQQINRSRUUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O/c16-15-18-5-2-14(19-15)20-8-12(10-3-6-21-9-10)11-7-17-4-1-13(11)20/h1-9H,(H2,16,18,19).
What are the key properties of 4-[3-(furan-3-yl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine?
4-[3-(furan-3-yl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine has a molecular weight of 277.29 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-3-yl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 71580834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).