4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole

C17H10FN5S — CID 155806794

IUPAC4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
SMILESFc1cnc2[nH]cc(-c3csc(-c4c[nH]c5ncccc45)n3)c2c1
InChIInChI=1S/C17H10FN5S/c18-9-4-11-12(6-21-16(11)20-5-9)14-8-24-17(23-14)13-7-22-15-10(13)2-1-3-19-15/h1-8H,(H,19,22)(H,20,21)
InChIKeyKCALZKKHYWVWBA-UHFFFAOYSA-N
MW335.37 g/mol
LogP4.37
Rot. Bonds2

About 4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole

4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole (PubChem CID 155806794) has the molecular formula C17H10FN5S and a molecular weight of 335.37 g/mol. Its IUPAC name is 4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
PubChem CID155806794
Molecular FormulaC17H10FN5S
Molecular Weight335.37 g/mol
Exact Mass335.06
IUPAC Name4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
SMILESFc1cnc2[nH]cc(-c3csc(-c4c[nH]c5ncccc45)n3)c2c1
InChIInChI=1S/C17H10FN5S/c18-9-4-11-12(6-21-16(11)20-5-9)14-8-24-17(23-14)13-7-22-15-10(13)2-1-3-19-15/h1-8H,(H,19,22)(H,20,21)
InChIKeyKCALZKKHYWVWBA-UHFFFAOYSA-N
XLogP4.37
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole with MolForge

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Related Compounds

[2-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol
CID 56912725
4-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 137661231
5-(2-amino-4-pyridinyl)-2-methyl-N-(thiophen-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166629551
5-(2-amino-4-pyridinyl)-2-methyl-N-(thiophen-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166629640
N-(pyridin-2-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 944383
2-Phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-thiazol-2-yl]-acetamide
CID 11515518
N1-(5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl)-2-phenylpropane-1,3-diamine
CID 24803959
12-[4-(Piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 44546169
US9670204, 226 N-(6-(4-((1H-imidazol-2-yl)methyl)piperazin-1-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine
CID 78427642
1-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 87482409
US9670204, 192 N-(6-(4-((1H-imidazol-5-yl)methyl)piperazin-1-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine
CID 90420651
4-[5-(4-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 129206291

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
The IUPAC name of 4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole (CID 155806794) is 4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
The canonical SMILES for 4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole is Fc1cnc2[nH]cc(-c3csc(-c4c[nH]c5ncccc45)n3)c2c1.
What is the InChIKey of 4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
The InChIKey is KCALZKKHYWVWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN5S/c18-9-4-11-12(6-21-16(11)20-5-9)14-8-24-17(23-14)13-7-22-15-10(13)2-1-3-19-15/h1-8H,(H,19,22)(H,20,21).
What are the key properties of 4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole has a molecular weight of 335.37 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole is sourced from PubChem (CID 155806794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).