4-methyl-5-[[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)

C25H24F6N6O4S — CID 155833039

IUPAC4-methyl-5-[[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
SMILESCc1ncsc1CN1CCCC(c2nc3ccc(-c4ccncc4)cn3n2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C21H22N6S.2C2HF3O2/c1-15-19(28-14-23-15)13-26-10-2-3-18(11-26)21-24-20-5-4-17(12-27(20)25-21)16-6-8-22-9-7-16;2*3-2(4,5)1(6)7/h4-9,12,14,18H,2-3,10-11,13H2,1H3;2*(H,6,7)
InChIKeyQQHLOBXMBXTSAW-UHFFFAOYSA-N
MW618.56 g/mol
LogP5.20
Rot. Bonds4

About 4-methyl-5-[[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)

4-methyl-5-[[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155833039) has the molecular formula C25H24F6N6O4S and a molecular weight of 618.56 g/mol. Its IUPAC name is 4-methyl-5-[[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name4-methyl-5-[[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
PubChem CID155833039
Molecular FormulaC25H24F6N6O4S
Molecular Weight618.56 g/mol
Exact Mass618.15
IUPAC Name4-methyl-5-[[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
SMILESCc1ncsc1CN1CCCC(c2nc3ccc(-c4ccncc4)cn3n2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C21H22N6S.2C2HF3O2/c1-15-19(28-14-23-15)13-26-10-2-3-18(11-26)21-24-20-5-4-17(12-27(20)25-21)16-6-8-22-9-7-16;2*3-2(4,5)1(6)7/h4-9,12,14,18H,2-3,10-11,13H2,1H3;2*(H,6,7)
InChIKeyQQHLOBXMBXTSAW-UHFFFAOYSA-N
XLogP5.20
TPSA133.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.56
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-methyl-5-[[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 4-methyl-5-[[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) (CID 155833039) is 4-methyl-5-[[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 4-methyl-5-[[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 4-methyl-5-[[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) is Cc1ncsc1CN1CCCC(c2nc3ccc(-c4ccncc4)cn3n2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 4-methyl-5-[[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is QQHLOBXMBXTSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6S.2C2HF3O2/c1-15-19(28-14-23-15)13-26-10-2-3-18(11-26)21-24-20-5-4-17(12-27(20)25-21)16-6-8-22-9-7-16;2*3-2(4,5)1(6)7/h4-9,12,14,18H,2-3,10-11,13H2,1H3;2*(H,6,7).
What are the key properties of 4-methyl-5-[[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)?
4-methyl-5-[[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 618.56 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155833039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).