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

C14H11N5S — CID 162760939

IUPAC2-[1-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-1,3-thiazole
SMILESCn1cc(-c2ccnc3[nH]ccc23)c(-c2nccs2)n1
InChIInChI=1S/C14H11N5S/c1-19-8-11(12(18-19)14-17-6-7-20-14)9-2-4-15-13-10(9)3-5-16-13/h2-8H,1H3,(H,15,16)
InChIKeyYJYXHJOZKXBBLI-UHFFFAOYSA-N
MW281.34 g/mol
LogP3.09
Rot. Bonds2

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

2-[1-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-1,3-thiazole (PubChem CID 162760939) has the molecular formula C14H11N5S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-[1-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-1,3-thiazole
PubChem CID162760939
Molecular FormulaC14H11N5S
Molecular Weight281.34 g/mol
Exact Mass281.07
IUPAC Name2-[1-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-1,3-thiazole
SMILESCn1cc(-c2ccnc3[nH]ccc23)c(-c2nccs2)n1
InChIInChI=1S/C14H11N5S/c1-19-8-11(12(18-19)14-17-6-7-20-14)9-2-4-15-13-10(9)3-5-16-13/h2-8H,1H3,(H,15,16)
InChIKeyYJYXHJOZKXBBLI-UHFFFAOYSA-N
XLogP3.09
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-1,3-thiazole?
The IUPAC name of 2-[1-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-1,3-thiazole (CID 162760939) is 2-[1-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-1,3-thiazole is Cn1cc(-c2ccnc3[nH]ccc23)c(-c2nccs2)n1.
What is the InChIKey of 2-[1-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-1,3-thiazole?
The InChIKey is YJYXHJOZKXBBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5S/c1-19-8-11(12(18-19)14-17-6-7-20-14)9-2-4-15-13-10(9)3-5-16-13/h2-8H,1H3,(H,15,16).
What are the key properties of 2-[1-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-1,3-thiazole?
2-[1-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-1,3-thiazole has a molecular weight of 281.34 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 162760939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).