3-[[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine

C19H22N4OS — CID 56891950

IUPAC3-[[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine
SMILESc1cncc(COC2CCN(Cc3ccc(-c4ccn[nH]4)s3)CC2)c1
InChIInChI=1S/C19H22N4OS/c1-2-15(12-20-8-1)14-24-16-6-10-23(11-7-16)13-17-3-4-19(25-17)18-5-9-21-22-18/h1-5,8-9,12,16H,6-7,10-11,13-14H2,(H,21,22)
InChIKeyIUDTZOMKBUDYCN-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.71
Rot. Bonds6

About 3-[[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine

3-[[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine (PubChem CID 56891950) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 3-[[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine.

Molecular Properties

Compound Name3-[[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine
PubChem CID56891950
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name3-[[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine
SMILESc1cncc(COC2CCN(Cc3ccc(-c4ccn[nH]4)s3)CC2)c1
InChIInChI=1S/C19H22N4OS/c1-2-15(12-20-8-1)14-24-16-6-10-23(11-7-16)13-17-3-4-19(25-17)18-5-9-21-22-18/h1-5,8-9,12,16H,6-7,10-11,13-14H2,(H,21,22)
InChIKeyIUDTZOMKBUDYCN-UHFFFAOYSA-N
XLogP3.71
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine?
The IUPAC name of 3-[[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine (CID 56891950) is 3-[[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine.
What is the SMILES notation for 3-[[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine?
The canonical SMILES for 3-[[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine is c1cncc(COC2CCN(Cc3ccc(-c4ccn[nH]4)s3)CC2)c1.
What is the InChIKey of 3-[[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine?
The InChIKey is IUDTZOMKBUDYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-2-15(12-20-8-1)14-24-16-6-10-23(11-7-16)13-17-3-4-19(25-17)18-5-9-21-22-18/h1-5,8-9,12,16H,6-7,10-11,13-14H2,(H,21,22).
What are the key properties of 3-[[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine?
3-[[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine has a molecular weight of 354.48 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine is sourced from PubChem (CID 56891950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).