2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide

C20H19F2N5O — CID 56754669

IUPAC2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CN1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1)NCc1ccccn1
InChIInChI=1S/C20H19F2N5O/c21-16-5-4-13(9-17(16)22)20-15-11-27(8-6-18(15)25-26-20)12-19(28)24-10-14-3-1-2-7-23-14/h1-5,7,9H,6,8,10-12H2,(H,24,28)(H,25,26)
InChIKeyVYVNFXLWDQXISY-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.42
Rot. Bonds5

About 2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide

2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 56754669) has the molecular formula C20H19F2N5O and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID56754669
Molecular FormulaC20H19F2N5O
Molecular Weight383.40 g/mol
Exact Mass383.16
IUPAC Name2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CN1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1)NCc1ccccn1
InChIInChI=1S/C20H19F2N5O/c21-16-5-4-13(9-17(16)22)20-15-11-27(8-6-18(15)25-26-20)12-19(28)24-10-14-3-1-2-7-23-14/h1-5,7,9H,6,8,10-12H2,(H,24,28)(H,25,26)
InChIKeyVYVNFXLWDQXISY-UHFFFAOYSA-N
XLogP2.42
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethyl]benzamide
CID 56753411
4-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 56759112
6-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidine-2,4-dione
CID 56757047
2-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]acetamide
CID 56745125
5-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidine-2,4-dione
CID 56741365
2-(4-aminopiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 79333901
2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 46488455
3-(3,4-difluorophenyl)-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 56750400
2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95311404
2-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999339
5-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-2-(pyridin-2-ylmethyl)isoindole-1,3-dione
CID 108750026
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 5156979

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 56754669) is 2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide is O=C(CN1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1)NCc1ccccn1.
What is the InChIKey of 2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is VYVNFXLWDQXISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O/c21-16-5-4-13(9-17(16)22)20-15-11-27(8-6-18(15)25-26-20)12-19(28)24-10-14-3-1-2-7-23-14/h1-5,7,9H,6,8,10-12H2,(H,24,28)(H,25,26).
What are the key properties of 2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide?
2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 383.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 56754669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).