[4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]-piperidin-1-ylmethanone

C19H20N4OS — CID 6620144

IUPAC[4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(CSc2nc3ccncc3[nH]2)cc1)N1CCCCC1
InChIInChI=1S/C19H20N4OS/c24-18(23-10-2-1-3-11-23)15-6-4-14(5-7-15)13-25-19-21-16-8-9-20-12-17(16)22-19/h4-9,12H,1-3,10-11,13H2,(H,21,22)
InChIKeyKJGLNAGHMBUATJ-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.88
Rot. Bonds4

About [4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]-piperidin-1-ylmethanone

[4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]-piperidin-1-ylmethanone (PubChem CID 6620144) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is [4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]-piperidin-1-ylmethanone
PubChem CID6620144
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name[4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(CSc2nc3ccncc3[nH]2)cc1)N1CCCCC1
InChIInChI=1S/C19H20N4OS/c24-18(23-10-2-1-3-11-23)15-6-4-14(5-7-15)13-25-19-21-16-8-9-20-12-17(16)22-19/h4-9,12H,1-3,10-11,13H2,(H,21,22)
InChIKeyKJGLNAGHMBUATJ-UHFFFAOYSA-N
XLogP3.88
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]-piperidin-1-ylmethanone (CID 6620144) is [4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]-piperidin-1-ylmethanone is O=C(c1ccc(CSc2nc3ccncc3[nH]2)cc1)N1CCCCC1.
What is the InChIKey of [4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]-piperidin-1-ylmethanone?
The InChIKey is KJGLNAGHMBUATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c24-18(23-10-2-1-3-11-23)15-6-4-14(5-7-15)13-25-19-21-16-8-9-20-12-17(16)22-19/h4-9,12H,1-3,10-11,13H2,(H,21,22).
What are the key properties of [4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]-piperidin-1-ylmethanone?
[4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]-piperidin-1-ylmethanone has a molecular weight of 352.46 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 6620144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).