2-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]-5-(1H-pyrazol-5-yl)-1,3-thiazole

C21H19FN6S — CID 158781875

IUPAC2-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]-5-(1H-pyrazol-5-yl)-1,3-thiazole
SMILESFc1cccnc1C1(CCc2ccc(-c3ncc(-c4ccn[nH]4)s3)nn2)CCC1
InChIInChI=1S/C21H19FN6S/c22-15-3-1-11-23-19(15)21(8-2-9-21)10-6-14-4-5-17(28-26-14)20-24-13-18(29-20)16-7-12-25-27-16/h1,3-5,7,11-13H,2,6,8-10H2,(H,25,27)
InChIKeyHRJOUFNAKDCAEH-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.58
Rot. Bonds6

About 2-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]-5-(1H-pyrazol-5-yl)-1,3-thiazole

2-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]-5-(1H-pyrazol-5-yl)-1,3-thiazole (PubChem CID 158781875) has the molecular formula C21H19FN6S and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]-5-(1H-pyrazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]-5-(1H-pyrazol-5-yl)-1,3-thiazole
PubChem CID158781875
Molecular FormulaC21H19FN6S
Molecular Weight406.49 g/mol
Exact Mass406.14
IUPAC Name2-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]-5-(1H-pyrazol-5-yl)-1,3-thiazole
SMILESFc1cccnc1C1(CCc2ccc(-c3ncc(-c4ccn[nH]4)s3)nn2)CCC1
InChIInChI=1S/C21H19FN6S/c22-15-3-1-11-23-19(15)21(8-2-9-21)10-6-14-4-5-17(28-26-14)20-24-13-18(29-20)16-7-12-25-27-16/h1,3-5,7,11-13H,2,6,8-10H2,(H,25,27)
InChIKeyHRJOUFNAKDCAEH-UHFFFAOYSA-N
XLogP4.58
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Phenyl-5-(1H-pyrazol-3-YL)-1,3-thiazole
CID 2763788
4-[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]pyridine
CID 1482789
2-[1-[(2-Fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-1,3-thiazole
CID 56598526
3-(3-fluorophenyl)-5-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 26391289
3-fluoro-2-(3-{1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazol-3-yl}phenyl)pyridine
CID 28312557
1-(2-methyl-1,3-thiazol-4-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 86808820
1-(5-pyridin-3-yl-1H-pyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 86808837
4-[1-[(4-phenyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazole
CID 177663790
4-[1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazole
CID 177664163
4-[1-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazole
CID 177665669
3-(2-Fluoro-4-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridine
CID 18446617
5-[6-(3-Fluorophenyl)-6-phenyl-1,7-dihydroindazol-3-yl]-1,3-thiazole
CID 21928690

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]-5-(1H-pyrazol-5-yl)-1,3-thiazole?
The IUPAC name of 2-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]-5-(1H-pyrazol-5-yl)-1,3-thiazole (CID 158781875) is 2-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]-5-(1H-pyrazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 2-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]-5-(1H-pyrazol-5-yl)-1,3-thiazole?
The canonical SMILES for 2-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]-5-(1H-pyrazol-5-yl)-1,3-thiazole is Fc1cccnc1C1(CCc2ccc(-c3ncc(-c4ccn[nH]4)s3)nn2)CCC1.
What is the InChIKey of 2-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]-5-(1H-pyrazol-5-yl)-1,3-thiazole?
The InChIKey is HRJOUFNAKDCAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6S/c22-15-3-1-11-23-19(15)21(8-2-9-21)10-6-14-4-5-17(28-26-14)20-24-13-18(29-20)16-7-12-25-27-16/h1,3-5,7,11-13H,2,6,8-10H2,(H,25,27).
What are the key properties of 2-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]-5-(1H-pyrazol-5-yl)-1,3-thiazole?
2-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]-5-(1H-pyrazol-5-yl)-1,3-thiazole has a molecular weight of 406.49 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]-5-(1H-pyrazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 158781875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).