1-[4-[2-[4-amino-2-[[6-(trifluoromethyl)-1,3-benzodioxol-5-yl]sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]ethanone

C23H24F3N5O3S — CID 53374060

IUPAC1-[4-[2-[4-amino-2-[[6-(trifluoromethyl)-1,3-benzodioxol-5-yl]sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CCn2c(Sc3cc4c(cc3C(F)(F)F)OCO4)nc3c(N)nccc32)CC1
InChIInChI=1S/C23H24F3N5O3S/c1-13(32)30-7-3-14(4-8-30)5-9-31-16-2-6-28-21(27)20(16)29-22(31)35-19-11-18-17(33-12-34-18)10-15(19)23(24,25)26/h2,6,10-11,14H,3-5,7-9,12H2,1H3,(H2,27,28)
InChIKeyMRAHIBZIPHSARA-UHFFFAOYSA-N
MW507.54 g/mol
LogP4.56
Rot. Bonds5

About 1-[4-[2-[4-amino-2-[[6-(trifluoromethyl)-1,3-benzodioxol-5-yl]sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]ethanone

1-[4-[2-[4-amino-2-[[6-(trifluoromethyl)-1,3-benzodioxol-5-yl]sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]ethanone (PubChem CID 53374060) has the molecular formula C23H24F3N5O3S and a molecular weight of 507.54 g/mol. Its IUPAC name is 1-[4-[2-[4-amino-2-[[6-(trifluoromethyl)-1,3-benzodioxol-5-yl]sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[4-amino-2-[[6-(trifluoromethyl)-1,3-benzodioxol-5-yl]sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]ethanone
PubChem CID53374060
Molecular FormulaC23H24F3N5O3S
Molecular Weight507.54 g/mol
Exact Mass507.16
IUPAC Name1-[4-[2-[4-amino-2-[[6-(trifluoromethyl)-1,3-benzodioxol-5-yl]sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CCn2c(Sc3cc4c(cc3C(F)(F)F)OCO4)nc3c(N)nccc32)CC1
InChIInChI=1S/C23H24F3N5O3S/c1-13(32)30-7-3-14(4-8-30)5-9-31-16-2-6-28-21(27)20(16)29-22(31)35-19-11-18-17(33-12-34-18)10-15(19)23(24,25)26/h2,6,10-11,14H,3-5,7-9,12H2,1H3,(H2,27,28)
InChIKeyMRAHIBZIPHSARA-UHFFFAOYSA-N
XLogP4.56
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.54
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-[2-[4-amino-2-[[6-(trifluoromethyl)-1,3-benzodioxol-5-yl]sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-amino-2-[[6-(trifluoromethyl)-1,3-benzodioxol-5-yl]sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[4-amino-2-[[6-(trifluoromethyl)-1,3-benzodioxol-5-yl]sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]ethanone (CID 53374060) is 1-[4-[2-[4-amino-2-[[6-(trifluoromethyl)-1,3-benzodioxol-5-yl]sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[4-amino-2-[[6-(trifluoromethyl)-1,3-benzodioxol-5-yl]sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[4-amino-2-[[6-(trifluoromethyl)-1,3-benzodioxol-5-yl]sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(CCn2c(Sc3cc4c(cc3C(F)(F)F)OCO4)nc3c(N)nccc32)CC1.
What is the InChIKey of 1-[4-[2-[4-amino-2-[[6-(trifluoromethyl)-1,3-benzodioxol-5-yl]sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]ethanone?
The InChIKey is MRAHIBZIPHSARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O3S/c1-13(32)30-7-3-14(4-8-30)5-9-31-16-2-6-28-21(27)20(16)29-22(31)35-19-11-18-17(33-12-34-18)10-15(19)23(24,25)26/h2,6,10-11,14H,3-5,7-9,12H2,1H3,(H2,27,28).
What are the key properties of 1-[4-[2-[4-amino-2-[[6-(trifluoromethyl)-1,3-benzodioxol-5-yl]sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]ethanone?
1-[4-[2-[4-amino-2-[[6-(trifluoromethyl)-1,3-benzodioxol-5-yl]sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]ethanone has a molecular weight of 507.54 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-amino-2-[[6-(trifluoromethyl)-1,3-benzodioxol-5-yl]sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 53374060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).