N-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]pyridin-3-amine

C17H16N6O — CID 70782039

IUPACN-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]pyridin-3-amine
SMILESc1cncc(NCCn2ccnc2-c2ccc(-c3ccn[nH]3)o2)c1
InChIInChI=1S/C17H16N6O/c1-2-13(12-18-6-1)19-8-10-23-11-9-20-17(23)16-4-3-15(24-16)14-5-7-21-22-14/h1-7,9,11-12,19H,8,10H2,(H,21,22)
InChIKeyADQFNCXFBQUAAW-UHFFFAOYSA-N
MW320.36 g/mol
LogP3.04
Rot. Bonds6

About N-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]pyridin-3-amine

N-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]pyridin-3-amine (PubChem CID 70782039) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is N-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]pyridin-3-amine
PubChem CID70782039
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC NameN-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]pyridin-3-amine
SMILESc1cncc(NCCn2ccnc2-c2ccc(-c3ccn[nH]3)o2)c1
InChIInChI=1S/C17H16N6O/c1-2-13(12-18-6-1)19-8-10-23-11-9-20-17(23)16-4-3-15(24-16)14-5-7-21-22-14/h1-7,9,11-12,19H,8,10H2,(H,21,22)
InChIKeyADQFNCXFBQUAAW-UHFFFAOYSA-N
XLogP3.04
TPSA84.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]pyridin-3-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-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]pyridin-3-amine?
The IUPAC name of N-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]pyridin-3-amine (CID 70782039) is N-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]pyridin-3-amine.
What is the SMILES notation for N-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]pyridin-3-amine?
The canonical SMILES for N-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]pyridin-3-amine is c1cncc(NCCn2ccnc2-c2ccc(-c3ccn[nH]3)o2)c1.
What is the InChIKey of N-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]pyridin-3-amine?
The InChIKey is ADQFNCXFBQUAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c1-2-13(12-18-6-1)19-8-10-23-11-9-20-17(23)16-4-3-15(24-16)14-5-7-21-22-14/h1-7,9,11-12,19H,8,10H2,(H,21,22).
What are the key properties of N-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]pyridin-3-amine?
N-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]pyridin-3-amine has a molecular weight of 320.36 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]pyridin-3-amine is sourced from PubChem (CID 70782039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).