2-butyl-6-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole

C27H22FN5S — CID 90721202

IUPAC2-butyl-6-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole
SMILESCCCCc1nc2ccc(-c3cnc4ccc(-c5cn[nH]c5-c5ccc(F)cc5)cn34)cc2s1
InChIInChI=1S/C27H22FN5S/c1-2-3-4-26-31-22-11-7-18(13-24(22)34-26)23-15-29-25-12-8-19(16-33(23)25)21-14-30-32-27(21)17-5-9-20(28)10-6-17/h5-16H,2-4H2,1H3,(H,30,32)
InChIKeyMUNBAYBZCSTSDU-UHFFFAOYSA-N
MW467.57 g/mol
LogP7.15
Rot. Bonds6

About 2-butyl-6-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole

2-butyl-6-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole (PubChem CID 90721202) has the molecular formula C27H22FN5S and a molecular weight of 467.57 g/mol. Its IUPAC name is 2-butyl-6-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-butyl-6-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole
PubChem CID90721202
Molecular FormulaC27H22FN5S
Molecular Weight467.57 g/mol
Exact Mass467.16
IUPAC Name2-butyl-6-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole
SMILESCCCCc1nc2ccc(-c3cnc4ccc(-c5cn[nH]c5-c5ccc(F)cc5)cn34)cc2s1
InChIInChI=1S/C27H22FN5S/c1-2-3-4-26-31-22-11-7-18(13-24(22)34-26)23-15-29-25-12-8-19(16-33(23)25)21-14-30-32-27(21)17-5-9-20(28)10-6-17/h5-16H,2-4H2,1H3,(H,30,32)
InChIKeyMUNBAYBZCSTSDU-UHFFFAOYSA-N
XLogP7.15
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
7-(2,4-dimethyl-1H-imidazol-1-yl)-2-(5-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 138571253
N-[6-(4-fluorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
CID 25094283
N-cyclohexyl-6-(1H-indazol-5-yl)imidazo[2,1-b]thiazol-5-amine
CID 25166869
N2-(4-(benzo[d]thiazol-2-yl)phenyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 44564787
N2-(3-(benzo[d]thiazol-2-yl)phenyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 44565013
7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5-(3-methoxypropyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224679
5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224684
5-(3-aminopropyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224697
7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5-(2-(piperidin-4-yl)ethyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224698
5-(4-aminobutyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224701
7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5-isopropyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46226038

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole?
The IUPAC name of 2-butyl-6-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole (CID 90721202) is 2-butyl-6-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-butyl-6-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole?
The canonical SMILES for 2-butyl-6-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole is CCCCc1nc2ccc(-c3cnc4ccc(-c5cn[nH]c5-c5ccc(F)cc5)cn34)cc2s1.
What is the InChIKey of 2-butyl-6-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole?
The InChIKey is MUNBAYBZCSTSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN5S/c1-2-3-4-26-31-22-11-7-18(13-24(22)34-26)23-15-29-25-12-8-19(16-33(23)25)21-14-30-32-27(21)17-5-9-20(28)10-6-17/h5-16H,2-4H2,1H3,(H,30,32).
What are the key properties of 2-butyl-6-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole?
2-butyl-6-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole has a molecular weight of 467.57 g/mol, XLogP of 7.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole is sourced from PubChem (CID 90721202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).