6-fluoro-2-methyl-5-[1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-[1,3]thiazolo[4,5-b]pyridine

C20H21FN8S — CID 156524207

IUPAC6-fluoro-2-methyl-5-[1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1nc2nc(C(C)N3CCN(c4ccc(-n5cccn5)nn4)CC3)c(F)cc2s1
InChIInChI=1S/C20H21FN8S/c1-13(19-15(21)12-16-20(24-19)23-14(2)30-16)27-8-10-28(11-9-27)17-4-5-18(26-25-17)29-7-3-6-22-29/h3-7,12-13H,8-11H2,1-2H3
InChIKeyGDKCFFQZMUFLPC-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.00
Rot. Bonds4

About 6-fluoro-2-methyl-5-[1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-[1,3]thiazolo[4,5-b]pyridine

6-fluoro-2-methyl-5-[1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 156524207) has the molecular formula C20H21FN8S and a molecular weight of 424.51 g/mol. Its IUPAC name is 6-fluoro-2-methyl-5-[1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-fluoro-2-methyl-5-[1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-[1,3]thiazolo[4,5-b]pyridine
PubChem CID156524207
Molecular FormulaC20H21FN8S
Molecular Weight424.51 g/mol
Exact Mass424.16
IUPAC Name6-fluoro-2-methyl-5-[1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1nc2nc(C(C)N3CCN(c4ccc(-n5cccn5)nn4)CC3)c(F)cc2s1
InChIInChI=1S/C20H21FN8S/c1-13(19-15(21)12-16-20(24-19)23-14(2)30-16)27-8-10-28(11-9-27)17-4-5-18(26-25-17)29-7-3-6-22-29/h3-7,12-13H,8-11H2,1-2H3
InChIKeyGDKCFFQZMUFLPC-UHFFFAOYSA-N
XLogP3.00
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-5-[1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 6-fluoro-2-methyl-5-[1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-[1,3]thiazolo[4,5-b]pyridine (CID 156524207) is 6-fluoro-2-methyl-5-[1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 6-fluoro-2-methyl-5-[1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 6-fluoro-2-methyl-5-[1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-[1,3]thiazolo[4,5-b]pyridine is Cc1nc2nc(C(C)N3CCN(c4ccc(-n5cccn5)nn4)CC3)c(F)cc2s1.
What is the InChIKey of 6-fluoro-2-methyl-5-[1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is GDKCFFQZMUFLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN8S/c1-13(19-15(21)12-16-20(24-19)23-14(2)30-16)27-8-10-28(11-9-27)17-4-5-18(26-25-17)29-7-3-6-22-29/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of 6-fluoro-2-methyl-5-[1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-[1,3]thiazolo[4,5-b]pyridine?
6-fluoro-2-methyl-5-[1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 424.51 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-5-[1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 156524207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).