2-amino-4-(furan-2-yl)-6-(1H-pyrazol-5-yl)pyridine-3-carbonitrile;ethane;formaldehyde

C16H17N5O2 — CID 142908447

IUPAC2-amino-4-(furan-2-yl)-6-(1H-pyrazol-5-yl)pyridine-3-carbonitrile;ethane;formaldehyde
SMILESC=O.CC.N#Cc1c(-c2ccco2)cc(-c2ccn[nH]2)nc1N
InChIInChI=1S/C13H9N5O.C2H6.CH2O/c14-7-9-8(12-2-1-5-19-12)6-11(17-13(9)15)10-3-4-16-18-10;2*1-2/h1-6H,(H2,15,17)(H,16,18);1-2H3;1H2
InChIKeyBLMWBOKSOJBQSP-UHFFFAOYSA-N
MW311.35 g/mol
LogP3.03
Rot. Bonds2

About 2-amino-4-(furan-2-yl)-6-(1H-pyrazol-5-yl)pyridine-3-carbonitrile;ethane;formaldehyde

2-amino-4-(furan-2-yl)-6-(1H-pyrazol-5-yl)pyridine-3-carbonitrile;ethane;formaldehyde (PubChem CID 142908447) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-amino-4-(furan-2-yl)-6-(1H-pyrazol-5-yl)pyridine-3-carbonitrile;ethane;formaldehyde.

Molecular Properties

Compound Name2-amino-4-(furan-2-yl)-6-(1H-pyrazol-5-yl)pyridine-3-carbonitrile;ethane;formaldehyde
PubChem CID142908447
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name2-amino-4-(furan-2-yl)-6-(1H-pyrazol-5-yl)pyridine-3-carbonitrile;ethane;formaldehyde
SMILESC=O.CC.N#Cc1c(-c2ccco2)cc(-c2ccn[nH]2)nc1N
InChIInChI=1S/C13H9N5O.C2H6.CH2O/c14-7-9-8(12-2-1-5-19-12)6-11(17-13(9)15)10-3-4-16-18-10;2*1-2/h1-6H,(H2,15,17)(H,16,18);1-2H3;1H2
InChIKeyBLMWBOKSOJBQSP-UHFFFAOYSA-N
XLogP3.03
TPSA121.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(furan-2-yl)-6-(1H-pyrazol-5-yl)pyridine-3-carbonitrile;ethane;formaldehyde?
The IUPAC name of 2-amino-4-(furan-2-yl)-6-(1H-pyrazol-5-yl)pyridine-3-carbonitrile;ethane;formaldehyde (CID 142908447) is 2-amino-4-(furan-2-yl)-6-(1H-pyrazol-5-yl)pyridine-3-carbonitrile;ethane;formaldehyde.
What is the SMILES notation for 2-amino-4-(furan-2-yl)-6-(1H-pyrazol-5-yl)pyridine-3-carbonitrile;ethane;formaldehyde?
The canonical SMILES for 2-amino-4-(furan-2-yl)-6-(1H-pyrazol-5-yl)pyridine-3-carbonitrile;ethane;formaldehyde is C=O.CC.N#Cc1c(-c2ccco2)cc(-c2ccn[nH]2)nc1N.
What is the InChIKey of 2-amino-4-(furan-2-yl)-6-(1H-pyrazol-5-yl)pyridine-3-carbonitrile;ethane;formaldehyde?
The InChIKey is BLMWBOKSOJBQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O.C2H6.CH2O/c14-7-9-8(12-2-1-5-19-12)6-11(17-13(9)15)10-3-4-16-18-10;2*1-2/h1-6H,(H2,15,17)(H,16,18);1-2H3;1H2.
What are the key properties of 2-amino-4-(furan-2-yl)-6-(1H-pyrazol-5-yl)pyridine-3-carbonitrile;ethane;formaldehyde?
2-amino-4-(furan-2-yl)-6-(1H-pyrazol-5-yl)pyridine-3-carbonitrile;ethane;formaldehyde has a molecular weight of 311.35 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(furan-2-yl)-6-(1H-pyrazol-5-yl)pyridine-3-carbonitrile;ethane;formaldehyde is sourced from PubChem (CID 142908447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).