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

C17H15N5S — CID 56753912

IUPAC2-[2-[2-[5-(1H-pyrazol-5-yl)thiophen-2-yl]imidazol-1-yl]ethyl]pyridine
SMILESc1ccc(CCn2ccnc2-c2ccc(-c3ccn[nH]3)s2)nc1
InChIInChI=1S/C17H15N5S/c1-2-8-18-13(3-1)7-11-22-12-10-19-17(22)16-5-4-15(23-16)14-6-9-20-21-14/h1-6,8-10,12H,7,11H2,(H,20,21)
InChIKeyCVIRUPULSIVAEQ-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.64
Rot. Bonds5

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

2-[2-[2-[5-(1H-pyrazol-5-yl)thiophen-2-yl]imidazol-1-yl]ethyl]pyridine (PubChem CID 56753912) has the molecular formula C17H15N5S and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-[2-[2-[5-(1H-pyrazol-5-yl)thiophen-2-yl]imidazol-1-yl]ethyl]pyridine.

Molecular Properties

Compound Name2-[2-[2-[5-(1H-pyrazol-5-yl)thiophen-2-yl]imidazol-1-yl]ethyl]pyridine
PubChem CID56753912
Molecular FormulaC17H15N5S
Molecular Weight321.41 g/mol
Exact Mass321.10
IUPAC Name2-[2-[2-[5-(1H-pyrazol-5-yl)thiophen-2-yl]imidazol-1-yl]ethyl]pyridine
SMILESc1ccc(CCn2ccnc2-c2ccc(-c3ccn[nH]3)s2)nc1
InChIInChI=1S/C17H15N5S/c1-2-8-18-13(3-1)7-11-22-12-10-19-17(22)16-5-4-15(23-16)14-6-9-20-21-14/h1-6,8-10,12H,7,11H2,(H,20,21)
InChIKeyCVIRUPULSIVAEQ-UHFFFAOYSA-N
XLogP3.64
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(pyridin-2-ylmethyl)-1,2-thiazol-5-amine
CID 25145716
5,8-Dimethyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53236526
5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 71450204
N-(2-aminoethyl)-12-methyl-4-(1H-pyrazol-4-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093431
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(6-methyl-2-pyridinyl)methyl]-1,2-thiazol-5-amine
CID 25143601
5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224684
5-(3-aminopropyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224697
5-(4-aminobutyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224701
5-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-1H-thieno[2,3-d]pyrazole
CID 68355550
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53250503
US9096589, 8-Methyl-2-[2-(4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 67257821
5-Methyl-2-[2-(4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 67258155

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[5-(1H-pyrazol-5-yl)thiophen-2-yl]imidazol-1-yl]ethyl]pyridine?
The IUPAC name of 2-[2-[2-[5-(1H-pyrazol-5-yl)thiophen-2-yl]imidazol-1-yl]ethyl]pyridine (CID 56753912) is 2-[2-[2-[5-(1H-pyrazol-5-yl)thiophen-2-yl]imidazol-1-yl]ethyl]pyridine.
What is the SMILES notation for 2-[2-[2-[5-(1H-pyrazol-5-yl)thiophen-2-yl]imidazol-1-yl]ethyl]pyridine?
The canonical SMILES for 2-[2-[2-[5-(1H-pyrazol-5-yl)thiophen-2-yl]imidazol-1-yl]ethyl]pyridine is c1ccc(CCn2ccnc2-c2ccc(-c3ccn[nH]3)s2)nc1.
What is the InChIKey of 2-[2-[2-[5-(1H-pyrazol-5-yl)thiophen-2-yl]imidazol-1-yl]ethyl]pyridine?
The InChIKey is CVIRUPULSIVAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5S/c1-2-8-18-13(3-1)7-11-22-12-10-19-17(22)16-5-4-15(23-16)14-6-9-20-21-14/h1-6,8-10,12H,7,11H2,(H,20,21).
What are the key properties of 2-[2-[2-[5-(1H-pyrazol-5-yl)thiophen-2-yl]imidazol-1-yl]ethyl]pyridine?
2-[2-[2-[5-(1H-pyrazol-5-yl)thiophen-2-yl]imidazol-1-yl]ethyl]pyridine has a molecular weight of 321.41 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[5-(1H-pyrazol-5-yl)thiophen-2-yl]imidazol-1-yl]ethyl]pyridine is sourced from PubChem (CID 56753912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).