4-(5-piperidin-4-yl-3-thiophen-3-yl-1H-pyrazol-4-yl)pyridine

C17H18N4S — CID 22953836

IUPAC4-(5-piperidin-4-yl-3-thiophen-3-yl-1H-pyrazol-4-yl)pyridine
SMILESc1cc(-c2c(-c3ccsc3)n[nH]c2C2CCNCC2)ccn1
InChIInChI=1S/C17H18N4S/c1-6-18-7-2-12(1)15-16(13-3-8-19-9-4-13)20-21-17(15)14-5-10-22-11-14/h1-2,5-7,10-11,13,19H,3-4,8-9H2,(H,20,21)
InChIKeyHXJDELVIVUTAFM-UHFFFAOYSA-N
MW310.43 g/mol
LogP3.67
Rot. Bonds3

About 4-(5-piperidin-4-yl-3-thiophen-3-yl-1H-pyrazol-4-yl)pyridine

4-(5-piperidin-4-yl-3-thiophen-3-yl-1H-pyrazol-4-yl)pyridine (PubChem CID 22953836) has the molecular formula C17H18N4S and a molecular weight of 310.43 g/mol. Its IUPAC name is 4-(5-piperidin-4-yl-3-thiophen-3-yl-1H-pyrazol-4-yl)pyridine.

Molecular Properties

Compound Name4-(5-piperidin-4-yl-3-thiophen-3-yl-1H-pyrazol-4-yl)pyridine
PubChem CID22953836
Molecular FormulaC17H18N4S
Molecular Weight310.43 g/mol
Exact Mass310.13
IUPAC Name4-(5-piperidin-4-yl-3-thiophen-3-yl-1H-pyrazol-4-yl)pyridine
SMILESc1cc(-c2c(-c3ccsc3)n[nH]c2C2CCNCC2)ccn1
InChIInChI=1S/C17H18N4S/c1-6-18-7-2-12(1)15-16(13-3-8-19-9-4-13)20-21-17(15)14-5-10-22-11-14/h1-2,5-7,10-11,13,19H,3-4,8-9H2,(H,20,21)
InChIKeyHXJDELVIVUTAFM-UHFFFAOYSA-N
XLogP3.67
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[[ethyl-[(3S)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-5-thiophen-2-yl-1H-pyrazol-3-yl]pyrazine
CID 122192019
4-(3-(thiophen-2-yl)-1H-pyrazol-4-yl)quinoline
CID 11054978
4-(3-(4-fluorophenyl)-5-(piperidin-3-yl)-1H-pyrazol-4-yl)pyridine
CID 22037206
4-(3-(4-fluorophenyl)-5-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridine
CID 22037479
4-[3-(Piperidin-4-yl)-1H-pyrazol-5-yl]pyridine
CID 46937430
2-[4-[2-[[ethyl-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-5-thiophen-2-yl-1H-pyrazol-3-yl]pyrazine
CID 53358320
2-[4-[2-[[ethyl-[(3R)-1-(2-phenylpropan-2-yl)pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-5-thiophen-2-yl-1H-pyrazol-3-yl]pyrazine
CID 53358321
2-[4-[2-[[ethyl-[(3R)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-5-thiophen-2-yl-1H-pyrazol-3-yl]pyrazine
CID 53358322
4-Pentyl-N-[2-(5-pyrazin-2-yl-3-thiophen-2-yl-1H-pyrazol-4-yl)-ethyl]-benzenesulfonamide
CID 56666643
2-[4-[2-[[[(3R)-1-benzylpyrrolidin-3-yl]-methylsulfamoyl]amino]ethyl]-5-thiophen-2-yl-1H-pyrazol-3-yl]pyrazine
CID 56666644
2-[4-[2-[[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-5-thiophen-2-yl-1H-pyrazol-3-yl]pyrazine
CID 56670055
CID 2998304
CID 2998304

Frequently Asked Questions

What is the IUPAC name of 4-(5-piperidin-4-yl-3-thiophen-3-yl-1H-pyrazol-4-yl)pyridine?
The IUPAC name of 4-(5-piperidin-4-yl-3-thiophen-3-yl-1H-pyrazol-4-yl)pyridine (CID 22953836) is 4-(5-piperidin-4-yl-3-thiophen-3-yl-1H-pyrazol-4-yl)pyridine.
What is the SMILES notation for 4-(5-piperidin-4-yl-3-thiophen-3-yl-1H-pyrazol-4-yl)pyridine?
The canonical SMILES for 4-(5-piperidin-4-yl-3-thiophen-3-yl-1H-pyrazol-4-yl)pyridine is c1cc(-c2c(-c3ccsc3)n[nH]c2C2CCNCC2)ccn1.
What is the InChIKey of 4-(5-piperidin-4-yl-3-thiophen-3-yl-1H-pyrazol-4-yl)pyridine?
The InChIKey is HXJDELVIVUTAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4S/c1-6-18-7-2-12(1)15-16(13-3-8-19-9-4-13)20-21-17(15)14-5-10-22-11-14/h1-2,5-7,10-11,13,19H,3-4,8-9H2,(H,20,21).
What are the key properties of 4-(5-piperidin-4-yl-3-thiophen-3-yl-1H-pyrazol-4-yl)pyridine?
4-(5-piperidin-4-yl-3-thiophen-3-yl-1H-pyrazol-4-yl)pyridine has a molecular weight of 310.43 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-piperidin-4-yl-3-thiophen-3-yl-1H-pyrazol-4-yl)pyridine is sourced from PubChem (CID 22953836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).