2-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile

C19H17N5O2S — CID 71798981

IUPAC2-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1cccnc1OC1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)CC1
InChIInChI=1S/C19H17N5O2S/c20-12-13-3-1-7-21-18(13)26-14-5-8-24(9-6-14)19(25)16-11-15(22-23-16)17-4-2-10-27-17/h1-4,7,10-11,14H,5-6,8-9H2,(H,22,23)
InChIKeyAPYAOYAEDIEELF-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.09
Rot. Bonds4

About 2-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile

2-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile (PubChem CID 71798981) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is 2-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
PubChem CID71798981
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC Name2-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1cccnc1OC1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)CC1
InChIInChI=1S/C19H17N5O2S/c20-12-13-3-1-7-21-18(13)26-14-5-8-24(9-6-14)19(25)16-11-15(22-23-16)17-4-2-10-27-17/h1-4,7,10-11,14H,5-6,8-9H2,(H,22,23)
InChIKeyAPYAOYAEDIEELF-UHFFFAOYSA-N
XLogP3.09
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 2-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile (CID 71798981) is 2-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 2-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile is N#Cc1cccnc1OC1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)CC1.
What is the InChIKey of 2-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile?
The InChIKey is APYAOYAEDIEELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c20-12-13-3-1-7-21-18(13)26-14-5-8-24(9-6-14)19(25)16-11-15(22-23-16)17-4-2-10-27-17/h1-4,7,10-11,14H,5-6,8-9H2,(H,22,23).
What are the key properties of 2-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile?
2-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile has a molecular weight of 379.45 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 71798981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).