2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole;2-piperidin-3-yl-1,3,4-thiadiazole;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole

C32H30BrF3N14S3 — CID 167576890

IUPAC2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole;2-piperidin-3-yl-1,3,4-thiadiazole;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole
SMILESBrc1nnc(-c2cccnc2)s1.FC(F)(F)c1cn2c(-c3nccc(N4CCCC(c5nncs5)C4)n3)cnc2cn1.c1nnc(C2CCCNC2)s1
InChIInChI=1S/C18H15F3N8S.C7H4BrN3S.C7H11N3S/c19-18(20,21)13-9-29-12(6-24-15(29)7-23-13)16-22-4-3-14(26-16)28-5-1-2-11(8-28)17-27-25-10-30-17;8-7-11-10-6(12-7)5-2-1-3-9-4-5;1-2-6(4-8-3-1)7-10-9-5-11-7/h3-4,6-7,9-11H,1-2,5,8H2;1-4H;5-6,8H,1-4H2
InChIKeyGQSNWZPNZJMIRE-UHFFFAOYSA-N
MW843.79 g/mol
LogP6.81
Rot. Bonds5

About 2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole;2-piperidin-3-yl-1,3,4-thiadiazole;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole

2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole;2-piperidin-3-yl-1,3,4-thiadiazole;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole (PubChem CID 167576890) has the molecular formula C32H30BrF3N14S3 and a molecular weight of 843.79 g/mol. Its IUPAC name is 2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole;2-piperidin-3-yl-1,3,4-thiadiazole;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole;2-piperidin-3-yl-1,3,4-thiadiazole;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole
PubChem CID167576890
Molecular FormulaC32H30BrF3N14S3
Molecular Weight843.79 g/mol
Exact Mass842.11
IUPAC Name2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole;2-piperidin-3-yl-1,3,4-thiadiazole;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole
SMILESBrc1nnc(-c2cccnc2)s1.FC(F)(F)c1cn2c(-c3nccc(N4CCCC(c5nncs5)C4)n3)cnc2cn1.c1nnc(C2CCCNC2)s1
InChIInChI=1S/C18H15F3N8S.C7H4BrN3S.C7H11N3S/c19-18(20,21)13-9-29-12(6-24-15(29)7-23-13)16-22-4-3-14(26-16)28-5-1-2-11(8-28)17-27-25-10-30-17;8-7-11-10-6(12-7)5-2-1-3-9-4-5;1-2-6(4-8-3-1)7-10-9-5-11-7/h3-4,6-7,9-11H,1-2,5,8H2;1-4H;5-6,8H,1-4H2
InChIKeyGQSNWZPNZJMIRE-UHFFFAOYSA-N
XLogP6.81
TPSA161.47 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500843.79
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole;2-piperidin-3-yl-1,3,4-thiadiazole;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole with MolForge

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Related Compounds

N-[3-[1-[[5-(3-fluoro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine
CID 59503699
bis(6-bromo-3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyrazine);bis(6-bromo-3-[4-[4-ethyl-2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);dimethyl-oxo-[5-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-lambda6-sulfane
CID 158073936
2-Bromo-5-pyridin-3-yl-1,3,4-thiadiazole;methane;2-piperidin-3-yl-1,3,4-thiadiazole;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole
CID 159140144
3-(2-chloropyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidine;3-[2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 159702193
3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2,5-dimethyl-3-[2-(trifluoromethyl)-3H-pyrrol-5-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-methyl-5-(3-methylimidazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-methyl-6-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole
CID 160134299
tris([1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,5-dimethylpiperidin-3-yl]methyl-imino-methyl-oxo-lambda6-sulfane);bis(3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine)
CID 161338536
N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide;3-[4-[(2S,3S)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3R)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3R)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 162071029
4-[[1-[[4-[5-[1-[[6-Amino-5-[3-[4-[[4-[(2-cyanopyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]-5-[1-(trifluoromethyl)pyrazol-4-yl]imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]methyl]imidazol-4-yl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 177316882
N-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-3-[1-[[6-(3-iminopyrrolidin-1-yl)-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine
CID 143460590
2-N-(2-aminoethyl)-5-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]pyridine-2,5-diamine;N-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-[2-[(3R)-3-aminopyrrolidin-1-yl]-4-pyridinyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 157259784
3-Bromo-8-methylsulfanyl-6-pyridin-3-ylimidazo[1,2-a]pyrazine;3-(1-methylpyrazol-4-yl)-8-methylsulfanyl-6-pyridin-3-ylimidazo[1,2-a]pyrazine
CID 157916243
5-(3-methylimidazol-4-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;5-(2-methylpyrazol-3-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-pyridin-2-ylimidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-pyridin-3-ylimidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-pyridin-4-ylimidazo[1,2-a]pyridine
CID 157929053

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole;2-piperidin-3-yl-1,3,4-thiadiazole;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole;2-piperidin-3-yl-1,3,4-thiadiazole;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole (CID 167576890) is 2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole;2-piperidin-3-yl-1,3,4-thiadiazole;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole;2-piperidin-3-yl-1,3,4-thiadiazole;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole;2-piperidin-3-yl-1,3,4-thiadiazole;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole is Brc1nnc(-c2cccnc2)s1.FC(F)(F)c1cn2c(-c3nccc(N4CCCC(c5nncs5)C4)n3)cnc2cn1.c1nnc(C2CCCNC2)s1.
What is the InChIKey of 2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole;2-piperidin-3-yl-1,3,4-thiadiazole;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole?
The InChIKey is GQSNWZPNZJMIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N8S.C7H4BrN3S.C7H11N3S/c19-18(20,21)13-9-29-12(6-24-15(29)7-23-13)16-22-4-3-14(26-16)28-5-1-2-11(8-28)17-27-25-10-30-17;8-7-11-10-6(12-7)5-2-1-3-9-4-5;1-2-6(4-8-3-1)7-10-9-5-11-7/h3-4,6-7,9-11H,1-2,5,8H2;1-4H;5-6,8H,1-4H2.
What are the key properties of 2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole;2-piperidin-3-yl-1,3,4-thiadiazole;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole?
2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole;2-piperidin-3-yl-1,3,4-thiadiazole;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole has a molecular weight of 843.79 g/mol, XLogP of 6.81, 5 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole;2-piperidin-3-yl-1,3,4-thiadiazole;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 167576890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).