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

C26H19N9OS — CID 140998060

IUPAC2-[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
SMILESc1ccc(C2=C(c3nccs3)C(c3ccn[nH]3)C(c3ncccn3)(c3ccco3)N2c2ncc[nH]2)nc1
InChIInChI=1S/C26H19N9OS/c1-2-8-27-18(5-1)22-20(23-28-14-16-37-23)21(17-7-11-33-34-17)26(19-6-3-15-36-19,24-29-9-4-10-30-24)35(22)25-31-12-13-32-25/h1-16,21H,(H,31,32)(H,33,34)
InChIKeyRDNFCXFUKOBKEF-UHFFFAOYSA-N
MW505.57 g/mol
LogP4.48
Rot. Bonds6

About 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

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 (PubChem CID 140998060) has the molecular formula C26H19N9OS and a molecular weight of 505.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID140998060
Molecular FormulaC26H19N9OS
Molecular Weight505.57 g/mol
Exact Mass505.14
IUPAC Name2-[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
SMILESc1ccc(C2=C(c3nccs3)C(c3ccn[nH]3)C(c3ncccn3)(c3ccco3)N2c2ncc[nH]2)nc1
InChIInChI=1S/C26H19N9OS/c1-2-8-27-18(5-1)22-20(23-28-14-16-37-23)21(17-7-11-33-34-17)26(19-6-3-15-36-19,24-29-9-4-10-30-24)35(22)25-31-12-13-32-25/h1-16,21H,(H,31,32)(H,33,34)
InChIKeyRDNFCXFUKOBKEF-UHFFFAOYSA-N
XLogP4.48
TPSA125.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.57
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
4-[5-(furan-2-yl)-1H-pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 46836652
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
[4-(furan-2-yl)-2-(3H-imidazo[4,5-c]pyridin-2-yl)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone
CID 67118966
3-(furan-2-yl)-4-(4-piperazin-1-ylphenyl)-6-(1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 68355226
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-[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-[3-[2-[6-[3-(furan-2-yl)-5-pyrazin-2-yl-4-pyrimidin-2-yl-2-pyridinyl]-5-phenyl-4-(1H-pyrrol-2-ylsulfanyl)pyridazin-3-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-4-(1,3-thiazol-2-yl)-1,3-oxazole
CID 136499328
2-[3-[2-[2-[2-[2-(5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-pyridinyl)furan-3-yl]phenyl]sulfanyl-1H-pyrrol-3-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-4-[4-(thiadiazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole
CID 136653447
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
4-[2-[3-(1H-pyrrol-2-yl)-4-thiophen-2-ylfuran-2-yl]-1H-imidazol-5-yl]-2H-triazole
CID 136655709

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(C2=C(c3nccs3)C(c3ccn[nH]3)C(c3ncccn3)(c3ccco3)N2c2ncc[nH]2)nc1.
What is the InChIKey of 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?
The InChIKey is RDNFCXFUKOBKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N9OS/c1-2-8-27-18(5-1)22-20(23-28-14-16-37-23)21(17-7-11-33-34-17)26(19-6-3-15-36-19,24-29-9-4-10-30-24)35(22)25-31-12-13-32-25/h1-16,21H,(H,31,32)(H,33,34).
What are the key properties of 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?
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 has a molecular weight of 505.57 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 140998060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).