2-[1-pyridin-3-yl-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)imidazol-4-yl]-1,3-thiazole

C24H16N6S — CID 25031548

IUPAC2-[1-pyridin-3-yl-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)imidazol-4-yl]-1,3-thiazole
SMILESc1cncc(-n2cc(-c3nccs3)nc2-c2ccc(-n3ccc4cccnc43)cc2)c1
InChIInChI=1S/C24H16N6S/c1-3-17-9-13-29(22(17)26-11-1)19-7-5-18(6-8-19)23-28-21(24-27-12-14-31-24)16-30(23)20-4-2-10-25-15-20/h1-16H
InChIKeyYACMOYRHSFRCGG-UHFFFAOYSA-N
MW420.50 g/mol
LogP5.40
Rot. Bonds4

About 2-[1-pyridin-3-yl-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)imidazol-4-yl]-1,3-thiazole

2-[1-pyridin-3-yl-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)imidazol-4-yl]-1,3-thiazole (PubChem CID 25031548) has the molecular formula C24H16N6S and a molecular weight of 420.50 g/mol. Its IUPAC name is 2-[1-pyridin-3-yl-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)imidazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-pyridin-3-yl-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)imidazol-4-yl]-1,3-thiazole
PubChem CID25031548
Molecular FormulaC24H16N6S
Molecular Weight420.50 g/mol
Exact Mass420.12
IUPAC Name2-[1-pyridin-3-yl-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)imidazol-4-yl]-1,3-thiazole
SMILESc1cncc(-n2cc(-c3nccs3)nc2-c2ccc(-n3ccc4cccnc43)cc2)c1
InChIInChI=1S/C24H16N6S/c1-3-17-9-13-29(22(17)26-11-1)19-7-5-18(6-8-19)23-28-21(24-27-12-14-31-24)16-30(23)20-4-2-10-25-15-20/h1-16H
InChIKeyYACMOYRHSFRCGG-UHFFFAOYSA-N
XLogP5.40
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.50
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-[5,6-Dimethyl-2-(1,3-Thiazol-2-Yl)-1h-Benzimidazol-1-Yl]quinazoline-2,4-Diamine
CID 46871716
2-[Butyl(oxidanyl)-$l^{3}-sulfanyl]-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 129281194
Imidazopyridine 10e
CID 5329344
Imidazopyridine 10f
CID 5329345
Ikk-IN-3
CID 10215156
12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823959
N,12-dimethyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823960
12-methyl-4-phenyl-N-[2-(piperidin-1-yl)ethyl]-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823975
Dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]amine
CID 20823982
N-ethyl-12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20824060
S-21007
CID 9863146
7-[7-[4-(4-Methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[2,3-b]pyrazine
CID 56973462

Frequently Asked Questions

What is the IUPAC name of 2-[1-pyridin-3-yl-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)imidazol-4-yl]-1,3-thiazole?
The IUPAC name of 2-[1-pyridin-3-yl-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)imidazol-4-yl]-1,3-thiazole (CID 25031548) is 2-[1-pyridin-3-yl-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)imidazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-pyridin-3-yl-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)imidazol-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-pyridin-3-yl-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)imidazol-4-yl]-1,3-thiazole is c1cncc(-n2cc(-c3nccs3)nc2-c2ccc(-n3ccc4cccnc43)cc2)c1.
What is the InChIKey of 2-[1-pyridin-3-yl-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)imidazol-4-yl]-1,3-thiazole?
The InChIKey is YACMOYRHSFRCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N6S/c1-3-17-9-13-29(22(17)26-11-1)19-7-5-18(6-8-19)23-28-21(24-27-12-14-31-24)16-30(23)20-4-2-10-25-15-20/h1-16H.
What are the key properties of 2-[1-pyridin-3-yl-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)imidazol-4-yl]-1,3-thiazole?
2-[1-pyridin-3-yl-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)imidazol-4-yl]-1,3-thiazole has a molecular weight of 420.50 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-pyridin-3-yl-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)imidazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 25031548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).