2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-pyridin-2-yl-1-thiophen-2-ylpiperidin-2-yl]quinoline

C30H25N5OS — CID 141099357

IUPAC2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-pyridin-2-yl-1-thiophen-2-ylpiperidin-2-yl]quinoline
SMILESc1ccc(C2(c3ncc[nH]3)CCCN(c3cccs3)C2(c2ccc3ccccc3n2)c2ccco2)nc1
InChIInChI=1S/C30H25N5OS/c1-2-9-23-22(8-1)13-14-25(34-23)30(26-11-5-20-36-26)29(28-32-17-18-33-28,24-10-3-4-16-31-24)15-7-19-35(30)27-12-6-21-37-27/h1-6,8-14,16-18,20-21H,7,15,19H2,(H,32,33)
InChIKeyGJCBDEYNKMTBPB-UHFFFAOYSA-N
MW503.63 g/mol
LogP6.54
Rot. Bonds5

About 2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-pyridin-2-yl-1-thiophen-2-ylpiperidin-2-yl]quinoline

2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-pyridin-2-yl-1-thiophen-2-ylpiperidin-2-yl]quinoline (PubChem CID 141099357) has the molecular formula C30H25N5OS and a molecular weight of 503.63 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-pyridin-2-yl-1-thiophen-2-ylpiperidin-2-yl]quinoline.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-pyridin-2-yl-1-thiophen-2-ylpiperidin-2-yl]quinoline
PubChem CID141099357
Molecular FormulaC30H25N5OS
Molecular Weight503.63 g/mol
Exact Mass503.18
IUPAC Name2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-pyridin-2-yl-1-thiophen-2-ylpiperidin-2-yl]quinoline
SMILESc1ccc(C2(c3ncc[nH]3)CCCN(c3cccs3)C2(c2ccc3ccccc3n2)c2ccco2)nc1
InChIInChI=1S/C30H25N5OS/c1-2-9-23-22(8-1)13-14-25(34-23)30(26-11-5-20-36-26)29(28-32-17-18-33-28,24-10-3-4-16-31-24)15-7-19-35(30)27-12-6-21-37-27/h1-6,8-14,16-18,20-21H,7,15,19H2,(H,32,33)
InChIKeyGJCBDEYNKMTBPB-UHFFFAOYSA-N
XLogP6.54
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.63
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-(furan-2-yl)-4,4-dimethyl-N-(pyridin-2-ylmethyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine
CID 11510507
8-(furan-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-4,4-dimethyl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine
CID 11554083
6-(furan-2-yl)-2-(2-thiophen-2-ylethyl)-1H-imidazo[4,5-b]pyridine
CID 23025634
2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-6-(1H-indol-2-yl)-5-pyrrolidin-1-yl-3-thiophen-2-yl-2H-pyridin-4-yl]-1,3-thiazole
CID 91088625
2-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperazin-2-yl]-1,3-thiazole
CID 91291255
4-[5-[3-[2-[4-[3-[3-[3-(1H-imidazol-2-yl)-1H-pyrrol-2-yl]thiophen-2-yl]furan-2-yl]-1,3-thiazol-2-yl]piperazin-1-yl]oxan-2-yl]-2-piperidin-1-yl-2-(1,3-thiazolidin-2-yl)pyrrolidin-3-yl]-3-(2-quinazolin-2-yl-1,3-oxazolidin-2-yl)morpholine
CID 123776950
2-[6-[4-[2-[2-[5-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-(1H-tetrazol-5-yl)-2-pyridinyl]furan-3-yl]-1H-imidazol-4-yl]-1,3,5-triazin-2-yl]-2H-pyran-5-yl]-1,3-thiazole
CID 136655040
6-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2-thieno[2,3-b]pyridin-6-ylfuro[2,3-b]pyridine
CID 137439127
4-(furan-2-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrimidine
CID 140976552
2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-2-pyrimidin-2-yl-3H-pyrrol-4-yl]-1,3-thiazole
CID 140998060
4-(furan-2-yl)-6-pyrazin-2-yl-8-pyridin-2-yl-7-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-yl-5-(triazin-4-yl)quinoline
CID 140998497
4-(furan-2-yl)-2-(1H-imidazol-2-yl)-2-pyrazin-2-yl-5-pyridin-2-yl-1-pyrimidin-2-yl-3-thiophen-2-yl-3H-indole
CID 140998691

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-pyridin-2-yl-1-thiophen-2-ylpiperidin-2-yl]quinoline?
The IUPAC name of 2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-pyridin-2-yl-1-thiophen-2-ylpiperidin-2-yl]quinoline (CID 141099357) is 2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-pyridin-2-yl-1-thiophen-2-ylpiperidin-2-yl]quinoline.
What is the SMILES notation for 2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-pyridin-2-yl-1-thiophen-2-ylpiperidin-2-yl]quinoline?
The canonical SMILES for 2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-pyridin-2-yl-1-thiophen-2-ylpiperidin-2-yl]quinoline is c1ccc(C2(c3ncc[nH]3)CCCN(c3cccs3)C2(c2ccc3ccccc3n2)c2ccco2)nc1.
What is the InChIKey of 2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-pyridin-2-yl-1-thiophen-2-ylpiperidin-2-yl]quinoline?
The InChIKey is GJCBDEYNKMTBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N5OS/c1-2-9-23-22(8-1)13-14-25(34-23)30(26-11-5-20-36-26)29(28-32-17-18-33-28,24-10-3-4-16-31-24)15-7-19-35(30)27-12-6-21-37-27/h1-6,8-14,16-18,20-21H,7,15,19H2,(H,32,33).
What are the key properties of 2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-pyridin-2-yl-1-thiophen-2-ylpiperidin-2-yl]quinoline?
2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-pyridin-2-yl-1-thiophen-2-ylpiperidin-2-yl]quinoline has a molecular weight of 503.63 g/mol, XLogP of 6.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-pyridin-2-yl-1-thiophen-2-ylpiperidin-2-yl]quinoline is sourced from PubChem (CID 141099357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).