2-[2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]-1,3-thiazole

C25H18N10S2 — CID 141064117

IUPAC2-[2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]-1,3-thiazole
SMILESc1ccc(C2=C(c3nccs3)C(c3ccn[nH]3)=NC(c3ncc[nH]3)(c3nccs3)N2c2ccc[nH]2)nc1
InChIInChI=1S/C25H18N10S2/c1-2-7-26-17(4-1)21-19(22-28-12-14-36-22)20(16-6-9-32-34-16)33-25(23-29-10-11-30-23,24-31-13-15-37-24)35(21)18-5-3-8-27-18/h1-15,27H,(H,29,30)(H,32,34)
InChIKeyXPIQPLCZZOMFKE-UHFFFAOYSA-N
MW522.62 g/mol
LogP4.55
Rot. Bonds6

About 2-[2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]-1,3-thiazole

2-[2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]-1,3-thiazole (PubChem CID 141064117) has the molecular formula C25H18N10S2 and a molecular weight of 522.62 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]-1,3-thiazole
PubChem CID141064117
Molecular FormulaC25H18N10S2
Molecular Weight522.62 g/mol
Exact Mass522.12
IUPAC Name2-[2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]-1,3-thiazole
SMILESc1ccc(C2=C(c3nccs3)C(c3ccn[nH]3)=NC(c3ncc[nH]3)(c3nccs3)N2c2ccc[nH]2)nc1
InChIInChI=1S/C25H18N10S2/c1-2-7-26-17(4-1)21-19(22-28-12-14-36-22)20(16-6-9-32-34-16)33-25(23-29-10-11-30-23,24-31-13-15-37-24)35(21)18-5-3-8-27-18/h1-15,27H,(H,29,30)(H,32,34)
InChIKeyXPIQPLCZZOMFKE-UHFFFAOYSA-N
XLogP4.55
TPSA127.42 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.62
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]-1,3-thiazole with MolForge

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Related Compounds

N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1,3-thiazol-2-ylmethyl)-1,2-thiazol-5-amine
CID 145971147
US8927738, 5,8-Dimethyl-2-[2-(2-thiazol-5-yl-1H-imidazol-4-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 67258896
US8927738, 5,8-Dimethyl-2-[2-(2-thiazol-2-yl-1H-imidazol-4-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 71059593
N-(6-(1H-pyrazol-4-yl)pyridin-3-yl)-2-(2-(thiazol-2-yl)-1H-indol-6-yl)pyrimidin-4-amine
CID 137387371
US20230339900, Example 16
CID 162760939
3-[4-[4-(1,3-Thiazol-2-yl)-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]pyrazol-1-yl]propanenitrile
CID 164614939
4-[4-[4-(2-Amino-1,3-thiazol-5-yl)-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]pyrazol-1-yl]butanenitrile
CID 164616229
3-[4-[4-(1,3-Thiazol-5-yl)-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]pyrazol-1-yl]propanenitrile
CID 164623810
2-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
CID 22031541
5-[(3S)-3-[2-fluoro-1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]-1,3-thiazole-4-carbonitrile
CID 59589285
2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)pyrazol-3-yl]-8-methyl-7H-purin-6-amine
CID 68642378
5-[3-[2-fluoro-1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]-1,3-thiazole-4-carbonitrile
CID 68775289

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]-1,3-thiazole?
The IUPAC name of 2-[2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]-1,3-thiazole (CID 141064117) is 2-[2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]-1,3-thiazole is c1ccc(C2=C(c3nccs3)C(c3ccn[nH]3)=NC(c3ncc[nH]3)(c3nccs3)N2c2ccc[nH]2)nc1.
What is the InChIKey of 2-[2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]-1,3-thiazole?
The InChIKey is XPIQPLCZZOMFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N10S2/c1-2-7-26-17(4-1)21-19(22-28-12-14-36-22)20(16-6-9-32-34-16)33-25(23-29-10-11-30-23,24-31-13-15-37-24)35(21)18-5-3-8-27-18/h1-15,27H,(H,29,30)(H,32,34).
What are the key properties of 2-[2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]-1,3-thiazole?
2-[2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]-1,3-thiazole has a molecular weight of 522.62 g/mol, XLogP of 4.55, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]-1,3-thiazole is sourced from PubChem (CID 141064117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).