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

C15H17N3O2S — CID 50951361

IUPAC[5-(oxolan-2-yl)thiophen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1ccc(C2CCCO2)s1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C15H17N3O2S/c19-15(18-6-5-10-11(8-18)17-9-16-10)14-4-3-13(21-14)12-2-1-7-20-12/h3-4,9,12H,1-2,5-8H2,(H,16,17)
InChIKeyGRMSEKVJWNYEHN-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.52
Rot. Bonds2

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

[5-(oxolan-2-yl)thiophen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 50951361) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is [5-(oxolan-2-yl)thiophen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[5-(oxolan-2-yl)thiophen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID50951361
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name[5-(oxolan-2-yl)thiophen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1ccc(C2CCCO2)s1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C15H17N3O2S/c19-15(18-6-5-10-11(8-18)17-9-16-10)14-4-3-13(21-14)12-2-1-7-20-12/h3-4,9,12H,1-2,5-8H2,(H,16,17)
InChIKeyGRMSEKVJWNYEHN-UHFFFAOYSA-N
XLogP2.52
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(oxolan-2-yl)thiophen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [5-(oxolan-2-yl)thiophen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 50951361) is [5-(oxolan-2-yl)thiophen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [5-(oxolan-2-yl)thiophen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [5-(oxolan-2-yl)thiophen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is O=C(c1ccc(C2CCCO2)s1)N1CCc2nc[nH]c2C1.
What is the InChIKey of [5-(oxolan-2-yl)thiophen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is GRMSEKVJWNYEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c19-15(18-6-5-10-11(8-18)17-9-16-10)14-4-3-13(21-14)12-2-1-7-20-12/h3-4,9,12H,1-2,5-8H2,(H,16,17).
What are the key properties of [5-(oxolan-2-yl)thiophen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
[5-(oxolan-2-yl)thiophen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 303.39 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(oxolan-2-yl)thiophen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 50951361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).