2-imidazol-1-yl-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone

C17H17N5O — CID 53185473

IUPAC2-imidazol-1-yl-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
SMILESO=C(Cn1ccnc1)N1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C17H17N5O/c23-16(11-21-9-7-18-12-21)22-8-6-15-14(10-22)17(20-19-15)13-4-2-1-3-5-13/h1-5,7,9,12H,6,8,10-11H2,(H,19,20)
InChIKeyGDVLXTSZYLZZON-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.86
Rot. Bonds3

About 2-imidazol-1-yl-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone

2-imidazol-1-yl-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone (PubChem CID 53185473) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-imidazol-1-yl-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
PubChem CID53185473
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name2-imidazol-1-yl-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
SMILESO=C(Cn1ccnc1)N1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C17H17N5O/c23-16(11-21-9-7-18-12-21)22-8-6-15-14(10-22)17(20-19-15)13-4-2-1-3-5-13/h1-5,7,9,12H,6,8,10-11H2,(H,19,20)
InChIKeyGDVLXTSZYLZZON-UHFFFAOYSA-N
XLogP1.86
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-imidazol-1-yl-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone (CID 53185473) is 2-imidazol-1-yl-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-imidazol-1-yl-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-imidazol-1-yl-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone is O=C(Cn1ccnc1)N1CCc2[nH]nc(-c3ccccc3)c2C1.
What is the InChIKey of 2-imidazol-1-yl-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The InChIKey is GDVLXTSZYLZZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c23-16(11-21-9-7-18-12-21)22-8-6-15-14(10-22)17(20-19-15)13-4-2-1-3-5-13/h1-5,7,9,12H,6,8,10-11H2,(H,19,20).
What are the key properties of 2-imidazol-1-yl-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
2-imidazol-1-yl-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone has a molecular weight of 307.36 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 53185473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).