2-(benzotriazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone

C19H17N7O — CID 166324481

IUPAC2-(benzotriazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
SMILESO=C(Cn1nnc2ccccc21)N1CCc2[nH]cnc2C1c1cccnc1
InChIInChI=1S/C19H17N7O/c27-17(11-26-16-6-2-1-5-14(16)23-24-26)25-9-7-15-18(22-12-21-15)19(25)13-4-3-8-20-10-13/h1-6,8,10,12,19H,7,9,11H2,(H,21,22)
InChIKeyCBLWWDZLKKCTHI-UHFFFAOYSA-N
MW359.39 g/mol
LogP1.72
Rot. Bonds3

About 2-(benzotriazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone

2-(benzotriazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone (PubChem CID 166324481) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
PubChem CID166324481
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name2-(benzotriazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
SMILESO=C(Cn1nnc2ccccc21)N1CCc2[nH]cnc2C1c1cccnc1
InChIInChI=1S/C19H17N7O/c27-17(11-26-16-6-2-1-5-14(16)23-24-26)25-9-7-15-18(22-12-21-15)19(25)13-4-3-8-20-10-13/h1-6,8,10,12,19H,7,9,11H2,(H,21,22)
InChIKeyCBLWWDZLKKCTHI-UHFFFAOYSA-N
XLogP1.72
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-(benzotriazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone (CID 166324481) is 2-(benzotriazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-(benzotriazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-(benzotriazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone is O=C(Cn1nnc2ccccc21)N1CCc2[nH]cnc2C1c1cccnc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
The InChIKey is CBLWWDZLKKCTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O/c27-17(11-26-16-6-2-1-5-14(16)23-24-26)25-9-7-15-18(22-12-21-15)19(25)13-4-3-8-20-10-13/h1-6,8,10,12,19H,7,9,11H2,(H,21,22).
What are the key properties of 2-(benzotriazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
2-(benzotriazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone has a molecular weight of 359.39 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 166324481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).