2-amino-4-(furan-2-yl)-6-(1H-pyrazol-4-yl)pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)

C17H11F6N5O5 — CID 162319419

IUPAC2-amino-4-(furan-2-yl)-6-(1H-pyrazol-4-yl)pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)
SMILESN#Cc1c(-c2ccco2)cc(-c2cn[nH]c2)nc1N.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C13H9N5O.2C2HF3O2/c14-5-10-9(12-2-1-3-19-12)4-11(18-13(10)15)8-6-16-17-7-8;2*3-2(4,5)1(6)7/h1-4,6-7H,(H2,15,18)(H,16,17);2*(H,6,7)
InChIKeySNONXFXJFCTEEG-UHFFFAOYSA-N
MW479.29 g/mol
LogP3.45
Rot. Bonds2

About 2-amino-4-(furan-2-yl)-6-(1H-pyrazol-4-yl)pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)

2-amino-4-(furan-2-yl)-6-(1H-pyrazol-4-yl)pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) (PubChem CID 162319419) has the molecular formula C17H11F6N5O5 and a molecular weight of 479.29 g/mol. Its IUPAC name is 2-amino-4-(furan-2-yl)-6-(1H-pyrazol-4-yl)pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-amino-4-(furan-2-yl)-6-(1H-pyrazol-4-yl)pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)
PubChem CID162319419
Molecular FormulaC17H11F6N5O5
Molecular Weight479.29 g/mol
Exact Mass479.07
IUPAC Name2-amino-4-(furan-2-yl)-6-(1H-pyrazol-4-yl)pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)
SMILESN#Cc1c(-c2ccco2)cc(-c2cn[nH]c2)nc1N.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C13H9N5O.2C2HF3O2/c14-5-10-9(12-2-1-3-19-12)4-11(18-13(10)15)8-6-16-17-7-8;2*3-2(4,5)1(6)7/h1-4,6-7H,(H2,15,18)(H,16,17);2*(H,6,7)
InChIKeySNONXFXJFCTEEG-UHFFFAOYSA-N
XLogP3.45
TPSA179.12 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.29
LogP ≤ 53.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-amino-4-(furan-2-yl)-6-(1H-pyrazol-4-yl)pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) 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 2-amino-4-(furan-2-yl)-6-(1H-pyrazol-4-yl)pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-amino-4-(furan-2-yl)-6-(1H-pyrazol-4-yl)pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) (CID 162319419) is 2-amino-4-(furan-2-yl)-6-(1H-pyrazol-4-yl)pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-amino-4-(furan-2-yl)-6-(1H-pyrazol-4-yl)pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-amino-4-(furan-2-yl)-6-(1H-pyrazol-4-yl)pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) is N#Cc1c(-c2ccco2)cc(-c2cn[nH]c2)nc1N.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-4-(furan-2-yl)-6-(1H-pyrazol-4-yl)pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is SNONXFXJFCTEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O.2C2HF3O2/c14-5-10-9(12-2-1-3-19-12)4-11(18-13(10)15)8-6-16-17-7-8;2*3-2(4,5)1(6)7/h1-4,6-7H,(H2,15,18)(H,16,17);2*(H,6,7).
What are the key properties of 2-amino-4-(furan-2-yl)-6-(1H-pyrazol-4-yl)pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)?
2-amino-4-(furan-2-yl)-6-(1H-pyrazol-4-yl)pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 479.29 g/mol, XLogP of 3.45, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(furan-2-yl)-6-(1H-pyrazol-4-yl)pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 162319419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).