3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(1,2,4-triazol-4-yl)piperidine;3-[4-[3-(1,2,4-triazol-4-yl)piperidin-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]acetaldehyde

C54H50ClF9N24O — CID 167533932

IUPAC3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(1,2,4-triazol-4-yl)piperidine;3-[4-[3-(1,2,4-triazol-4-yl)piperidin-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]acetaldehyde
SMILESFC(F)(F)c1cn2c(-c3nccc(Cl)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CCCC(n5cnnc5)C4)n3)cnc2cn1.O=CCC1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.c1nncn1C1CCCNC1
InChIInChI=1S/C18H16F3N9.C18H17F3N6O.C11H5ClF3N5.C7H12N4/c19-18(20,21)14-9-30-13(6-24-16(30)7-23-14)17-22-4-3-15(27-17)28-5-1-2-12(8-28)29-10-25-26-11-29;19-18(20,21)14-11-27-13(8-24-16(27)9-23-14)17-22-5-3-15(25-17)26-6-1-2-12(10-26)4-7-28;12-8-1-2-16-10(19-8)6-3-18-9-4-17-7(5-20(6)9)11(13,14)15;1-2-7(4-8-3-1)11-5-9-10-6-11/h3-4,6-7,9-12H,1-2,5,8H2;3,5,7-9,11-12H,1-2,4,6,10H2;1-5H;5-8H,1-4H2
InChIKeyAIGGEBCHXUVIRV-UHFFFAOYSA-N
MW1257.60 g/mol
LogP8.71
Rot. Bonds9

About 3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(1,2,4-triazol-4-yl)piperidine;3-[4-[3-(1,2,4-triazol-4-yl)piperidin-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]acetaldehyde

3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(1,2,4-triazol-4-yl)piperidine;3-[4-[3-(1,2,4-triazol-4-yl)piperidin-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]acetaldehyde (PubChem CID 167533932) has the molecular formula C54H50ClF9N24O and a molecular weight of 1257.60 g/mol. Its IUPAC name is 3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(1,2,4-triazol-4-yl)piperidine;3-[4-[3-(1,2,4-triazol-4-yl)piperidin-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]acetaldehyde.

Molecular Properties

Compound Name3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(1,2,4-triazol-4-yl)piperidine;3-[4-[3-(1,2,4-triazol-4-yl)piperidin-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]acetaldehyde
PubChem CID167533932
Molecular FormulaC54H50ClF9N24O
Molecular Weight1257.60 g/mol
Exact Mass1256.41
IUPAC Name3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(1,2,4-triazol-4-yl)piperidine;3-[4-[3-(1,2,4-triazol-4-yl)piperidin-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]acetaldehyde
SMILESFC(F)(F)c1cn2c(-c3nccc(Cl)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CCCC(n5cnnc5)C4)n3)cnc2cn1.O=CCC1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.c1nncn1C1CCCNC1
InChIInChI=1S/C18H16F3N9.C18H17F3N6O.C11H5ClF3N5.C7H12N4/c19-18(20,21)14-9-30-13(6-24-16(30)7-23-14)17-22-4-3-15(27-17)28-5-1-2-12(8-28)29-10-25-26-11-29;19-18(20,21)14-11-27-13(8-24-16(27)9-23-14)17-22-5-3-15(25-17)26-6-1-2-12(10-26)4-7-28;12-8-1-2-16-10(19-8)6-3-18-9-4-17-7(5-20(6)9)11(13,14)15;1-2-7(4-8-3-1)11-5-9-10-6-11/h3-4,6-7,9-12H,1-2,5,8H2;3,5,7-9,11-12H,1-2,4,6,10H2;1-5H;5-8H,1-4H2
InChIKeyAIGGEBCHXUVIRV-UHFFFAOYSA-N
XLogP8.71
TPSA264.91 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds9
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001257.60
LogP ≤ 58.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(1,2,4-triazol-4-yl)piperidine;3-[4-[3-(1,2,4-triazol-4-yl)piperidin-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]acetaldehyde with MolForge

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Related Compounds

1-Benzylpiperidin-3-amine;3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;methane;bis(3-(1,2,4-triazol-4-yl)piperidine);3-[4-[3-(1,2,4-triazol-4-yl)piperidin-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]acetaldehyde
CID 157388053
3-[4-[3-(1,2,4-Triazol-4-yl)piperidin-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]acetaldehyde
CID 160780879

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(1,2,4-triazol-4-yl)piperidine;3-[4-[3-(1,2,4-triazol-4-yl)piperidin-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]acetaldehyde?
The IUPAC name of 3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(1,2,4-triazol-4-yl)piperidine;3-[4-[3-(1,2,4-triazol-4-yl)piperidin-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]acetaldehyde (CID 167533932) is 3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(1,2,4-triazol-4-yl)piperidine;3-[4-[3-(1,2,4-triazol-4-yl)piperidin-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]acetaldehyde.
What is the SMILES notation for 3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(1,2,4-triazol-4-yl)piperidine;3-[4-[3-(1,2,4-triazol-4-yl)piperidin-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]acetaldehyde?
The canonical SMILES for 3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(1,2,4-triazol-4-yl)piperidine;3-[4-[3-(1,2,4-triazol-4-yl)piperidin-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]acetaldehyde is FC(F)(F)c1cn2c(-c3nccc(Cl)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CCCC(n5cnnc5)C4)n3)cnc2cn1.O=CCC1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.c1nncn1C1CCCNC1.
What is the InChIKey of 3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(1,2,4-triazol-4-yl)piperidine;3-[4-[3-(1,2,4-triazol-4-yl)piperidin-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]acetaldehyde?
The InChIKey is AIGGEBCHXUVIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N9.C18H17F3N6O.C11H5ClF3N5.C7H12N4/c19-18(20,21)14-9-30-13(6-24-16(30)7-23-14)17-22-4-3-15(27-17)28-5-1-2-12(8-28)29-10-25-26-11-29;19-18(20,21)14-11-27-13(8-24-16(27)9-23-14)17-22-5-3-15(25-17)26-6-1-2-12(10-26)4-7-28;12-8-1-2-16-10(19-8)6-3-18-9-4-17-7(5-20(6)9)11(13,14)15;1-2-7(4-8-3-1)11-5-9-10-6-11/h3-4,6-7,9-12H,1-2,5,8H2;3,5,7-9,11-12H,1-2,4,6,10H2;1-5H;5-8H,1-4H2.
What are the key properties of 3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(1,2,4-triazol-4-yl)piperidine;3-[4-[3-(1,2,4-triazol-4-yl)piperidin-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]acetaldehyde?
3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(1,2,4-triazol-4-yl)piperidine;3-[4-[3-(1,2,4-triazol-4-yl)piperidin-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]acetaldehyde has a molecular weight of 1257.60 g/mol, XLogP of 8.71, 9 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(1,2,4-triazol-4-yl)piperidine;3-[4-[3-(1,2,4-triazol-4-yl)piperidin-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]acetaldehyde is sourced from PubChem (CID 167533932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).