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

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

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Related Compounds

N-(2-aminoethyl)-12-methyl-4-(1H-pyrazol-4-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093431
US8754233, (4-Benzothiazol-2-yl-1H-pyrazol-3-yl)-[2-(1H-imidazol-4-yl)-ethyl]-amine
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3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-6-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
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1-(2-Fluorobenzyl)-4-(2-thiazolyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine
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2-methyl-N-(3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl)benzo[d]thiazol-5-amine
CID 24815998
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CID 53262678
2-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
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1-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 87482409
N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 89657814
2-butylsulfinyl-4-(2-methyl-1H-imidazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 118051872
5-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-1,3-thiazole
CID 118525835
US10138245, Example 8
CID 129051760

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).