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

C22H16N8S — CID 141336754

IUPAC2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2,6-bis(1H-pyrrol-2-yl)-3-pyridinyl]-1,3-thiazole
SMILESc1c[nH]c(-c2nc(-c3ccc[nH]3)c(-c3nccs3)c(-c3ncc[nH]3)c2-c2ccn[nH]2)c1
InChIInChI=1S/C22H16N8S/c1-3-14(23-6-1)19-16(13-5-8-28-30-13)17(21-25-9-10-26-21)18(22-27-11-12-31-22)20(29-19)15-4-2-7-24-15/h1-12,23-24H,(H,25,26)(H,28,30)
InChIKeyLLDXFHGBAODNEI-UHFFFAOYSA-N
MW424.49 g/mol
LogP4.98
Rot. Bonds5

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

2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2,6-bis(1H-pyrrol-2-yl)-3-pyridinyl]-1,3-thiazole (PubChem CID 141336754) has the molecular formula C22H16N8S and a molecular weight of 424.49 g/mol. Its IUPAC name is 2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2,6-bis(1H-pyrrol-2-yl)-3-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2,6-bis(1H-pyrrol-2-yl)-3-pyridinyl]-1,3-thiazole
PubChem CID141336754
Molecular FormulaC22H16N8S
Molecular Weight424.49 g/mol
Exact Mass424.12
IUPAC Name2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2,6-bis(1H-pyrrol-2-yl)-3-pyridinyl]-1,3-thiazole
SMILESc1c[nH]c(-c2nc(-c3ccc[nH]3)c(-c3nccs3)c(-c3ncc[nH]3)c2-c2ccn[nH]2)c1
InChIInChI=1S/C22H16N8S/c1-3-14(23-6-1)19-16(13-5-8-28-30-13)17(21-25-9-10-26-21)18(22-27-11-12-31-22)20(29-19)15-4-2-7-24-15/h1-12,23-24H,(H,25,26)(H,28,30)
InChIKeyLLDXFHGBAODNEI-UHFFFAOYSA-N
XLogP4.98
TPSA114.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 54.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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
5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137088569
3-[4-(4-Thiophen-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 164620163
N-methyl-N-piperidin-4-yl-2-[7-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;hydrochloride
CID 156310675
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
1-cyclopentyl-N-[[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 136214330
2-[[4-(4,5,6,8,10-Pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-3-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 136491481
5-[[3-(4,5,6,8,10-Pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-3-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 136980219
5-[[4-(4,5,6,8,10-Pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-3-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 136980231
5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137110483
N,N-dimethyl-5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137110894

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2,6-bis(1H-pyrrol-2-yl)-3-pyridinyl]-1,3-thiazole?
The IUPAC name of 2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2,6-bis(1H-pyrrol-2-yl)-3-pyridinyl]-1,3-thiazole (CID 141336754) is 2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2,6-bis(1H-pyrrol-2-yl)-3-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2,6-bis(1H-pyrrol-2-yl)-3-pyridinyl]-1,3-thiazole?
The canonical SMILES for 2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2,6-bis(1H-pyrrol-2-yl)-3-pyridinyl]-1,3-thiazole is c1c[nH]c(-c2nc(-c3ccc[nH]3)c(-c3nccs3)c(-c3ncc[nH]3)c2-c2ccn[nH]2)c1.
What is the InChIKey of 2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2,6-bis(1H-pyrrol-2-yl)-3-pyridinyl]-1,3-thiazole?
The InChIKey is LLDXFHGBAODNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N8S/c1-3-14(23-6-1)19-16(13-5-8-28-30-13)17(21-25-9-10-26-21)18(22-27-11-12-31-22)20(29-19)15-4-2-7-24-15/h1-12,23-24H,(H,25,26)(H,28,30).
What are the key properties of 2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2,6-bis(1H-pyrrol-2-yl)-3-pyridinyl]-1,3-thiazole?
2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2,6-bis(1H-pyrrol-2-yl)-3-pyridinyl]-1,3-thiazole has a molecular weight of 424.49 g/mol, XLogP of 4.98, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2,6-bis(1H-pyrrol-2-yl)-3-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 141336754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).