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

C19H18N4O — CID 53185462

IUPAC1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C19H18N4O/c24-18(11-14-5-4-9-20-12-14)23-10-8-17-16(13-23)19(22-21-17)15-6-2-1-3-7-15/h1-7,9,12H,8,10-11,13H2,(H,21,22)
InChIKeyPSWPJCUYIXBOOT-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.60
Rot. Bonds3

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

1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyridin-3-ylethanone (PubChem CID 53185462) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyridin-3-ylethanone
PubChem CID53185462
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C19H18N4O/c24-18(11-14-5-4-9-20-12-14)23-10-8-17-16(13-23)19(22-21-17)15-6-2-1-3-7-15/h1-7,9,12H,8,10-11,13H2,(H,21,22)
InChIKeyPSWPJCUYIXBOOT-UHFFFAOYSA-N
XLogP2.60
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyridin-3-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyridin-3-ylethanone?
The IUPAC name of 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyridin-3-ylethanone (CID 53185462) is 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyridin-3-ylethanone?
The canonical SMILES for 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)N1CCc2[nH]nc(-c3ccccc3)c2C1.
What is the InChIKey of 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyridin-3-ylethanone?
The InChIKey is PSWPJCUYIXBOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c24-18(11-14-5-4-9-20-12-14)23-10-8-17-16(13-23)19(22-21-17)15-6-2-1-3-7-15/h1-7,9,12H,8,10-11,13H2,(H,21,22).
What are the key properties of 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyridin-3-ylethanone?
1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyridin-3-ylethanone has a molecular weight of 318.38 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 53185462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).