2-[5-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-6-propylpyrazin-2-yl]-1,3-thiazole

C19H17FN6S — CID 59646951

IUPAC2-[5-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-6-propylpyrazin-2-yl]-1,3-thiazole
SMILESCCCc1nc(-c2nccs2)cnc1Cc1ccnn1-c1ncccc1F
InChIInChI=1S/C19H17FN6S/c1-2-4-15-16(23-12-17(25-15)19-22-9-10-27-19)11-13-6-8-24-26(13)18-14(20)5-3-7-21-18/h3,5-10,12H,2,4,11H2,1H3
InChIKeyJKWIWJJYQAOZHH-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.86
Rot. Bonds6

About 2-[5-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-6-propylpyrazin-2-yl]-1,3-thiazole

2-[5-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-6-propylpyrazin-2-yl]-1,3-thiazole (PubChem CID 59646951) has the molecular formula C19H17FN6S and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[5-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-6-propylpyrazin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[5-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-6-propylpyrazin-2-yl]-1,3-thiazole
PubChem CID59646951
Molecular FormulaC19H17FN6S
Molecular Weight380.45 g/mol
Exact Mass380.12
IUPAC Name2-[5-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-6-propylpyrazin-2-yl]-1,3-thiazole
SMILESCCCc1nc(-c2nccs2)cnc1Cc1ccnn1-c1ncccc1F
InChIInChI=1S/C19H17FN6S/c1-2-4-15-16(23-12-17(25-15)19-22-9-10-27-19)11-13-6-8-24-26(13)18-14(20)5-3-7-21-18/h3,5-10,12H,2,4,11H2,1H3
InChIKeyJKWIWJJYQAOZHH-UHFFFAOYSA-N
XLogP3.86
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[5-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-6-propylpyrazin-2-yl]-1,3-thiazole with MolForge

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Related Compounds

1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-pyridinyl)-1H-pyrazol-5-amine
CID 1474437
1-(2-Fluorobenzyl)-4-(2-thiazolyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine
CID 22015509
US10336761, Example 12
CID 126499877
US10336761, Example 17
CID 135262377
2-[1-[1-(4-Fluoro-2-methylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole
CID 44589206
N,N,6-trimethyl-5-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pyridin-2-amine
CID 44589329
5-Propylsulfanyl-7-pyridin-2-ylsulfanyl-3-(2-thiophen-2-ylethyl)triazolo[4,5-d]pyrimidine
CID 137631867
2-[7-[[2-(3-Fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1,3-thiazole
CID 11293063
US9096589, 5-Methyl-2-[2-(1-methyl-4-thiazol-5-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250346
US9096589, 8-Fluoro-2-[(E)-2-(1-methyl-4-thiazol-5-yl-1H-imidazol-2-yl)-vinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53252248
N-(4-piperazin-1-yl-3-pyridinyl)-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine
CID 70984132
US11186582, Example 195
CID 118479637

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-6-propylpyrazin-2-yl]-1,3-thiazole?
The IUPAC name of 2-[5-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-6-propylpyrazin-2-yl]-1,3-thiazole (CID 59646951) is 2-[5-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-6-propylpyrazin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[5-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-6-propylpyrazin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[5-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-6-propylpyrazin-2-yl]-1,3-thiazole is CCCc1nc(-c2nccs2)cnc1Cc1ccnn1-c1ncccc1F.
What is the InChIKey of 2-[5-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-6-propylpyrazin-2-yl]-1,3-thiazole?
The InChIKey is JKWIWJJYQAOZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6S/c1-2-4-15-16(23-12-17(25-15)19-22-9-10-27-19)11-13-6-8-24-26(13)18-14(20)5-3-7-21-18/h3,5-10,12H,2,4,11H2,1H3.
What are the key properties of 2-[5-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-6-propylpyrazin-2-yl]-1,3-thiazole?
2-[5-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-6-propylpyrazin-2-yl]-1,3-thiazole has a molecular weight of 380.45 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-6-propylpyrazin-2-yl]-1,3-thiazole is sourced from PubChem (CID 59646951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).