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

C30H24N12S — CID 141218864

IUPAC3-[5-(1H-imidazol-2-yl)-6-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-pyrimidin-2-yl-2,4-bis(1H-pyrrol-2-yl)-1H-pyrazin-3-yl]-1,2-thiazole
SMILESc1ccc(C2(c3ccc[nH]3)NC(c3ccn[nH]3)=C(c3ncc[nH]3)N(c3ccc[nH]3)C2(c2ccsn2)c2ncccn2)nc1
InChIInChI=1S/C30H24N12S/c1-2-11-31-21(6-1)29(22-7-3-12-32-22)30(23-10-19-43-41-23,28-36-14-5-15-37-28)42(24-8-4-13-33-24)26(27-34-17-18-35-27)25(39-29)20-9-16-38-40-20/h1-19,32-33,39H,(H,34,35)(H,38,40)
InChIKeyPGEZCNJVMGAARZ-UHFFFAOYSA-N
MW584.67 g/mol
LogP4.25
Rot. Bonds7

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

3-[5-(1H-imidazol-2-yl)-6-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-pyrimidin-2-yl-2,4-bis(1H-pyrrol-2-yl)-1H-pyrazin-3-yl]-1,2-thiazole (PubChem CID 141218864) has the molecular formula C30H24N12S and a molecular weight of 584.67 g/mol. Its IUPAC name is 3-[5-(1H-imidazol-2-yl)-6-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-pyrimidin-2-yl-2,4-bis(1H-pyrrol-2-yl)-1H-pyrazin-3-yl]-1,2-thiazole.

Molecular Properties

Compound Name3-[5-(1H-imidazol-2-yl)-6-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-pyrimidin-2-yl-2,4-bis(1H-pyrrol-2-yl)-1H-pyrazin-3-yl]-1,2-thiazole
PubChem CID141218864
Molecular FormulaC30H24N12S
Molecular Weight584.67 g/mol
Exact Mass584.20
IUPAC Name3-[5-(1H-imidazol-2-yl)-6-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-pyrimidin-2-yl-2,4-bis(1H-pyrrol-2-yl)-1H-pyrazin-3-yl]-1,2-thiazole
SMILESc1ccc(C2(c3ccc[nH]3)NC(c3ccn[nH]3)=C(c3ncc[nH]3)N(c3ccc[nH]3)C2(c2ccsn2)c2ncccn2)nc1
InChIInChI=1S/C30H24N12S/c1-2-11-31-21(6-1)29(22-7-3-12-32-22)30(23-10-19-43-41-23,28-36-14-5-15-37-28)42(24-8-4-13-33-24)26(27-34-17-18-35-27)25(39-29)20-9-16-38-40-20/h1-19,32-33,39H,(H,34,35)(H,38,40)
InChIKeyPGEZCNJVMGAARZ-UHFFFAOYSA-N
XLogP4.25
TPSA155.77 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.67
LogP ≤ 54.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
Aurora inhibitor 1
CID 51003133
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
3-[(3-fluoro-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 25145424
3-[(5-fluoro-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 25145568
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(5-methyl-2-pyridinyl)methyl]-1,2-thiazol-5-amine
CID 25145713
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-methyl-2-pyridinyl)methyl]-1,2-thiazol-5-amine
CID 25145714
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(3-methyl-2-pyridinyl)methyl]-1,2-thiazol-5-amine
CID 25145715
3-methyl-N-[3-(1H-pyrazol-4-yl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 56662867
N-[3-[1-(1H-benzimidazol-2-ylmethyl)pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine
CID 59503644
N,N-dimethyl-1-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 136214328
N-[[5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137055196

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1H-imidazol-2-yl)-6-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-pyrimidin-2-yl-2,4-bis(1H-pyrrol-2-yl)-1H-pyrazin-3-yl]-1,2-thiazole?
The IUPAC name of 3-[5-(1H-imidazol-2-yl)-6-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-pyrimidin-2-yl-2,4-bis(1H-pyrrol-2-yl)-1H-pyrazin-3-yl]-1,2-thiazole (CID 141218864) is 3-[5-(1H-imidazol-2-yl)-6-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-pyrimidin-2-yl-2,4-bis(1H-pyrrol-2-yl)-1H-pyrazin-3-yl]-1,2-thiazole.
What is the SMILES notation for 3-[5-(1H-imidazol-2-yl)-6-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-pyrimidin-2-yl-2,4-bis(1H-pyrrol-2-yl)-1H-pyrazin-3-yl]-1,2-thiazole?
The canonical SMILES for 3-[5-(1H-imidazol-2-yl)-6-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-pyrimidin-2-yl-2,4-bis(1H-pyrrol-2-yl)-1H-pyrazin-3-yl]-1,2-thiazole is c1ccc(C2(c3ccc[nH]3)NC(c3ccn[nH]3)=C(c3ncc[nH]3)N(c3ccc[nH]3)C2(c2ccsn2)c2ncccn2)nc1.
What is the InChIKey of 3-[5-(1H-imidazol-2-yl)-6-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-pyrimidin-2-yl-2,4-bis(1H-pyrrol-2-yl)-1H-pyrazin-3-yl]-1,2-thiazole?
The InChIKey is PGEZCNJVMGAARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N12S/c1-2-11-31-21(6-1)29(22-7-3-12-32-22)30(23-10-19-43-41-23,28-36-14-5-15-37-28)42(24-8-4-13-33-24)26(27-34-17-18-35-27)25(39-29)20-9-16-38-40-20/h1-19,32-33,39H,(H,34,35)(H,38,40).
What are the key properties of 3-[5-(1H-imidazol-2-yl)-6-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-pyrimidin-2-yl-2,4-bis(1H-pyrrol-2-yl)-1H-pyrazin-3-yl]-1,2-thiazole?
3-[5-(1H-imidazol-2-yl)-6-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-pyrimidin-2-yl-2,4-bis(1H-pyrrol-2-yl)-1H-pyrazin-3-yl]-1,2-thiazole has a molecular weight of 584.67 g/mol, XLogP of 4.25, 7 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1H-imidazol-2-yl)-6-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-pyrimidin-2-yl-2,4-bis(1H-pyrrol-2-yl)-1H-pyrazin-3-yl]-1,2-thiazole is sourced from PubChem (CID 141218864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).