[2-[1-[(1-methylimidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-3-pyridinyl] thiohypofluorite

C19H19F4N5S — CID 156817928

IUPAC[2-[1-[(1-methylimidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-3-pyridinyl] thiohypofluorite
SMILESCn1c(CN2CCC(c3ncc(C(F)(F)F)cc3SF)CC2)nc2ncccc21
InChIInChI=1S/C19H19F4N5S/c1-27-14-3-2-6-24-18(14)26-16(27)11-28-7-4-12(5-8-28)17-15(29-23)9-13(10-25-17)19(20,21)22/h2-3,6,9-10,12H,4-5,7-8,11H2,1H3
InChIKeyIPZRAFUWEZOBBB-UHFFFAOYSA-N
MW425.46 g/mol
LogP4.74
Rot. Bonds4

About [2-[1-[(1-methylimidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-3-pyridinyl] thiohypofluorite

[2-[1-[(1-methylimidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-3-pyridinyl] thiohypofluorite (PubChem CID 156817928) has the molecular formula C19H19F4N5S and a molecular weight of 425.46 g/mol. Its IUPAC name is [2-[1-[(1-methylimidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-3-pyridinyl] thiohypofluorite.

Molecular Properties

Compound Name[2-[1-[(1-methylimidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-3-pyridinyl] thiohypofluorite
PubChem CID156817928
Molecular FormulaC19H19F4N5S
Molecular Weight425.46 g/mol
Exact Mass425.13
IUPAC Name[2-[1-[(1-methylimidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-3-pyridinyl] thiohypofluorite
SMILESCn1c(CN2CCC(c3ncc(C(F)(F)F)cc3SF)CC2)nc2ncccc21
InChIInChI=1S/C19H19F4N5S/c1-27-14-3-2-6-24-18(14)26-16(27)11-28-7-4-12(5-8-28)17-15(29-23)9-13(10-25-17)19(20,21)22/h2-3,6,9-10,12H,4-5,7-8,11H2,1H3
InChIKeyIPZRAFUWEZOBBB-UHFFFAOYSA-N
XLogP4.74
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[1-[(1-methylimidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-3-pyridinyl] thiohypofluorite?
The IUPAC name of [2-[1-[(1-methylimidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-3-pyridinyl] thiohypofluorite (CID 156817928) is [2-[1-[(1-methylimidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-3-pyridinyl] thiohypofluorite.
What is the SMILES notation for [2-[1-[(1-methylimidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-3-pyridinyl] thiohypofluorite?
The canonical SMILES for [2-[1-[(1-methylimidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-3-pyridinyl] thiohypofluorite is Cn1c(CN2CCC(c3ncc(C(F)(F)F)cc3SF)CC2)nc2ncccc21.
What is the InChIKey of [2-[1-[(1-methylimidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-3-pyridinyl] thiohypofluorite?
The InChIKey is IPZRAFUWEZOBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4N5S/c1-27-14-3-2-6-24-18(14)26-16(27)11-28-7-4-12(5-8-28)17-15(29-23)9-13(10-25-17)19(20,21)22/h2-3,6,9-10,12H,4-5,7-8,11H2,1H3.
What are the key properties of [2-[1-[(1-methylimidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-3-pyridinyl] thiohypofluorite?
[2-[1-[(1-methylimidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-3-pyridinyl] thiohypofluorite has a molecular weight of 425.46 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[(1-methylimidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-3-pyridinyl] thiohypofluorite is sourced from PubChem (CID 156817928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).