(2R)-1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-hydroxy-2-phenylethanone

C20H17F2N3O2 — CID 56752152

IUPAC(2R)-1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-hydroxy-2-phenylethanone
SMILESO=C([C@H](O)c1ccccc1)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1
InChIInChI=1S/C20H17F2N3O2/c21-15-7-6-13(10-16(15)22)18-14-11-25(9-8-17(14)23-24-18)20(27)19(26)12-4-2-1-3-5-12/h1-7,10,19,26H,8-9,11H2,(H,23,24)/t19-/m1/s1
InChIKeyKXNFZMBPYQQSJY-LJQANCHMSA-N
MW369.37 g/mol
LogP2.97
Rot. Bonds3

About (2R)-1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-hydroxy-2-phenylethanone

(2R)-1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-hydroxy-2-phenylethanone (PubChem CID 56752152) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is (2R)-1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-hydroxy-2-phenylethanone.

Molecular Properties

Compound Name(2R)-1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-hydroxy-2-phenylethanone
PubChem CID56752152
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC Name(2R)-1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-hydroxy-2-phenylethanone
SMILESO=C([C@H](O)c1ccccc1)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1
InChIInChI=1S/C20H17F2N3O2/c21-15-7-6-13(10-16(15)22)18-14-11-25(9-8-17(14)23-24-18)20(27)19(26)12-4-2-1-3-5-12/h1-7,10,19,26H,8-9,11H2,(H,23,24)/t19-/m1/s1
InChIKeyKXNFZMBPYQQSJY-LJQANCHMSA-N
XLogP2.97
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-hydroxy-2-phenylethanone 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 (2R)-1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-hydroxy-2-phenylethanone?
The IUPAC name of (2R)-1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-hydroxy-2-phenylethanone (CID 56752152) is (2R)-1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-hydroxy-2-phenylethanone.
What is the SMILES notation for (2R)-1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-hydroxy-2-phenylethanone?
The canonical SMILES for (2R)-1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-hydroxy-2-phenylethanone is O=C([C@H](O)c1ccccc1)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1.
What is the InChIKey of (2R)-1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-hydroxy-2-phenylethanone?
The InChIKey is KXNFZMBPYQQSJY-LJQANCHMSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c21-15-7-6-13(10-16(15)22)18-14-11-25(9-8-17(14)23-24-18)20(27)19(26)12-4-2-1-3-5-12/h1-7,10,19,26H,8-9,11H2,(H,23,24)/t19-/m1/s1.
What are the key properties of (2R)-1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-hydroxy-2-phenylethanone?
(2R)-1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-hydroxy-2-phenylethanone has a molecular weight of 369.37 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-hydroxy-2-phenylethanone is sourced from PubChem (CID 56752152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).