2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-2-pyridin-2-yl-4-(2H-tetrazol-5-yl)-3-thiophen-2-yl-3H-pyrrol-5-yl]pyrimidine

C25H18N10OS — CID 141119829

IUPAC2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-2-pyridin-2-yl-4-(2H-tetrazol-5-yl)-3-thiophen-2-yl-3H-pyrrol-5-yl]pyrimidine
SMILESc1ccc(C2(c3ccco3)C(c3cccs3)C(c3nn[nH]n3)=C(c3ncccn3)N2c2ncc[nH]2)nc1
InChIInChI=1S/C25H18N10OS/c1-2-9-26-17(7-1)25(18-8-3-14-36-18)20(16-6-4-15-37-16)19(22-31-33-34-32-22)21(23-27-10-5-11-28-23)35(25)24-29-12-13-30-24/h1-15,20H,(H,29,30)(H,31,32,33,34)
InChIKeyFODIVSBLJXMIII-UHFFFAOYSA-N
MW506.56 g/mol
LogP3.88
Rot. Bonds6

About 2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-2-pyridin-2-yl-4-(2H-tetrazol-5-yl)-3-thiophen-2-yl-3H-pyrrol-5-yl]pyrimidine

2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-2-pyridin-2-yl-4-(2H-tetrazol-5-yl)-3-thiophen-2-yl-3H-pyrrol-5-yl]pyrimidine (PubChem CID 141119829) has the molecular formula C25H18N10OS and a molecular weight of 506.56 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-2-pyridin-2-yl-4-(2H-tetrazol-5-yl)-3-thiophen-2-yl-3H-pyrrol-5-yl]pyrimidine.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-2-pyridin-2-yl-4-(2H-tetrazol-5-yl)-3-thiophen-2-yl-3H-pyrrol-5-yl]pyrimidine
PubChem CID141119829
Molecular FormulaC25H18N10OS
Molecular Weight506.56 g/mol
Exact Mass506.14
IUPAC Name2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-2-pyridin-2-yl-4-(2H-tetrazol-5-yl)-3-thiophen-2-yl-3H-pyrrol-5-yl]pyrimidine
SMILESc1ccc(C2(c3ccco3)C(c3cccs3)C(c3nn[nH]n3)=C(c3ncccn3)N2c2ncc[nH]2)nc1
InChIInChI=1S/C25H18N10OS/c1-2-9-26-17(7-1)25(18-8-3-14-36-18)20(16-6-4-15-37-16)19(22-31-33-34-32-22)21(23-27-10-5-11-28-23)35(25)24-29-12-13-30-24/h1-15,20H,(H,29,30)(H,31,32,33,34)
InChIKeyFODIVSBLJXMIII-UHFFFAOYSA-N
XLogP3.88
TPSA138.19 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.56
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

5-[2-(Dimethylamino)-4-pyridinyl]-4-(furan-2-yl)-6-thiophen-3-ylpyrimidin-2-amine
CID 23020435
3-[(2S)-2-amino-3-thiophen-3-ylpropoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine
CID 25222709
2-[2-[4-(1H-imidazol-2-yl)-5-pyrazin-2-ylpyridazin-3-yl]thiophen-3-yl]-4-(3-pyrimidin-2-yl-2-pyridinyl)-1,3-oxazole
CID 54550762
6-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine
CID 57224175
[4-(furan-2-yl)-2-(3H-imidazo[4,5-c]pyridin-2-yl)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone
CID 67118966
6-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride
CID 67618281
6-(furan-2-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine-2-carboxamide;N-thiophen-3-yl-6-(1H-1,2,4-triazol-5-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 68408141
3-[(2R)-2-amino-3-thiophen-3-ylpropoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine
CID 68853372
2-methylpropyl N-[(2S)-1-[[2-amino-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)-3-pyridinyl]oxy]-3-thiophen-3-ylpropan-2-yl]carbamate
CID 68853563
4-(furan-2-yl)-1-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole
CID 91116024
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-2-pyridin-2-yl-4-(2H-tetrazol-5-yl)-3-thiophen-2-yl-3H-pyrrol-5-yl]pyrimidine?
The IUPAC name of 2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-2-pyridin-2-yl-4-(2H-tetrazol-5-yl)-3-thiophen-2-yl-3H-pyrrol-5-yl]pyrimidine (CID 141119829) is 2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-2-pyridin-2-yl-4-(2H-tetrazol-5-yl)-3-thiophen-2-yl-3H-pyrrol-5-yl]pyrimidine.
What is the SMILES notation for 2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-2-pyridin-2-yl-4-(2H-tetrazol-5-yl)-3-thiophen-2-yl-3H-pyrrol-5-yl]pyrimidine?
The canonical SMILES for 2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-2-pyridin-2-yl-4-(2H-tetrazol-5-yl)-3-thiophen-2-yl-3H-pyrrol-5-yl]pyrimidine is c1ccc(C2(c3ccco3)C(c3cccs3)C(c3nn[nH]n3)=C(c3ncccn3)N2c2ncc[nH]2)nc1.
What is the InChIKey of 2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-2-pyridin-2-yl-4-(2H-tetrazol-5-yl)-3-thiophen-2-yl-3H-pyrrol-5-yl]pyrimidine?
The InChIKey is FODIVSBLJXMIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N10OS/c1-2-9-26-17(7-1)25(18-8-3-14-36-18)20(16-6-4-15-37-16)19(22-31-33-34-32-22)21(23-27-10-5-11-28-23)35(25)24-29-12-13-30-24/h1-15,20H,(H,29,30)(H,31,32,33,34).
What are the key properties of 2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-2-pyridin-2-yl-4-(2H-tetrazol-5-yl)-3-thiophen-2-yl-3H-pyrrol-5-yl]pyrimidine?
2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-2-pyridin-2-yl-4-(2H-tetrazol-5-yl)-3-thiophen-2-yl-3H-pyrrol-5-yl]pyrimidine has a molecular weight of 506.56 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-2-pyridin-2-yl-4-(2H-tetrazol-5-yl)-3-thiophen-2-yl-3H-pyrrol-5-yl]pyrimidine is sourced from PubChem (CID 141119829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).