2-[2-[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-2-yl]ethyl]pyridine

C20H24N4S — CID 131893488

IUPAC2-[2-[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-2-yl]ethyl]pyridine
SMILESc1ccc(CCC2CCCCN2Cc2ccc(-c3ccn[nH]3)s2)nc1
InChIInChI=1S/C20H24N4S/c1-3-12-21-16(5-1)7-8-17-6-2-4-14-24(17)15-18-9-10-20(25-18)19-11-13-22-23-19/h1,3,5,9-13,17H,2,4,6-8,14-15H2,(H,22,23)
InChIKeyGNJXJTBJYRRGQE-UHFFFAOYSA-N
MW352.51 g/mol
LogP4.52
Rot. Bonds6

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

2-[2-[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-2-yl]ethyl]pyridine (PubChem CID 131893488) has the molecular formula C20H24N4S and a molecular weight of 352.51 g/mol. Its IUPAC name is 2-[2-[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-2-yl]ethyl]pyridine.

Molecular Properties

Compound Name2-[2-[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-2-yl]ethyl]pyridine
PubChem CID131893488
Molecular FormulaC20H24N4S
Molecular Weight352.51 g/mol
Exact Mass352.17
IUPAC Name2-[2-[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-2-yl]ethyl]pyridine
SMILESc1ccc(CCC2CCCCN2Cc2ccc(-c3ccn[nH]3)s2)nc1
InChIInChI=1S/C20H24N4S/c1-3-12-21-16(5-1)7-8-17-6-2-4-14-24(17)15-18-9-10-20(25-18)19-11-13-22-23-19/h1,3,5,9-13,17H,2,4,6-8,14-15H2,(H,22,23)
InChIKeyGNJXJTBJYRRGQE-UHFFFAOYSA-N
XLogP4.52
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.51
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2R)-1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]ethyl]pyridine
CID 29214676
2-[2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-2-yl]ethyl]pyridine
CID 77096975
2-[2-[(2S)-1-[2-(1H-pyrazol-4-yl)ethyl]piperidin-2-yl]ethyl]pyridine
CID 124758900
5-[5-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]-1H-pyrazole
CID 56912082
N,N-dimethyl-6-[2-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]ethyl]pyridin-2-amine
CID 124948158
3-(2-methoxyethyl)-5-[[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 124758455
1-morpholin-4-yl-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone
CID 124844881
2-[2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]ethyl]pyridine
CID 91832850
[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]methanol
CID 94336697
N,N-dimethyl-3-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propane-1-sulfonamide
CID 124846378
2-methoxy-5-[[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]benzoic acid
CID 99927710
2-methyl-4-[2-[(2R)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]ethyl]pyridine
CID 124942258

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-2-yl]ethyl]pyridine?
The IUPAC name of 2-[2-[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-2-yl]ethyl]pyridine (CID 131893488) is 2-[2-[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-2-yl]ethyl]pyridine.
What is the SMILES notation for 2-[2-[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-2-yl]ethyl]pyridine?
The canonical SMILES for 2-[2-[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-2-yl]ethyl]pyridine is c1ccc(CCC2CCCCN2Cc2ccc(-c3ccn[nH]3)s2)nc1.
What is the InChIKey of 2-[2-[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-2-yl]ethyl]pyridine?
The InChIKey is GNJXJTBJYRRGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4S/c1-3-12-21-16(5-1)7-8-17-6-2-4-14-24(17)15-18-9-10-20(25-18)19-11-13-22-23-19/h1,3,5,9-13,17H,2,4,6-8,14-15H2,(H,22,23).
What are the key properties of 2-[2-[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-2-yl]ethyl]pyridine?
2-[2-[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-2-yl]ethyl]pyridine has a molecular weight of 352.51 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-2-yl]ethyl]pyridine is sourced from PubChem (CID 131893488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).