(2-methylsulfanyl-3-pyridinyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

C13H14N4OS — CID 72874787

IUPAC(2-methylsulfanyl-3-pyridinyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCSc1ncccc1C(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C13H14N4OS/c1-19-12-9(3-2-5-14-12)13(18)17-6-4-10-11(7-17)16-8-15-10/h2-3,5,8H,4,6-7H2,1H3,(H,15,16)
InChIKeyIPVLIPYREMSZPM-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.73
Rot. Bonds2

About (2-methylsulfanyl-3-pyridinyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

(2-methylsulfanyl-3-pyridinyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 72874787) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is (2-methylsulfanyl-3-pyridinyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(2-methylsulfanyl-3-pyridinyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID72874787
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name(2-methylsulfanyl-3-pyridinyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCSc1ncccc1C(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C13H14N4OS/c1-19-12-9(3-2-5-14-12)13(18)17-6-4-10-11(7-17)16-8-15-10/h2-3,5,8H,4,6-7H2,1H3,(H,15,16)
InChIKeyIPVLIPYREMSZPM-UHFFFAOYSA-N
XLogP1.73
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanyl-3-pyridinyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (2-methylsulfanyl-3-pyridinyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 72874787) is (2-methylsulfanyl-3-pyridinyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (2-methylsulfanyl-3-pyridinyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (2-methylsulfanyl-3-pyridinyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is CSc1ncccc1C(=O)N1CCc2nc[nH]c2C1.
What is the InChIKey of (2-methylsulfanyl-3-pyridinyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is IPVLIPYREMSZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-19-12-9(3-2-5-14-12)13(18)17-6-4-10-11(7-17)16-8-15-10/h2-3,5,8H,4,6-7H2,1H3,(H,15,16).
What are the key properties of (2-methylsulfanyl-3-pyridinyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
(2-methylsulfanyl-3-pyridinyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 274.35 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanyl-3-pyridinyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 72874787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).