2-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide

C15H21FN4O — CID 75591031

IUPAC2-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(CN1CCC2NNCC2C1)NCc1ccccc1F
InChIInChI=1S/C15H21FN4O/c16-13-4-2-1-3-11(13)7-17-15(21)10-20-6-5-14-12(9-20)8-18-19-14/h1-4,12,14,18-19H,5-10H2,(H,17,21)
InChIKeyHBGWJZKMOAEMIR-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.24
Rot. Bonds4

About 2-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide

2-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 75591031) has the molecular formula C15H21FN4O and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID75591031
Molecular FormulaC15H21FN4O
Molecular Weight292.36 g/mol
Exact Mass292.17
IUPAC Name2-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(CN1CCC2NNCC2C1)NCc1ccccc1F
InChIInChI=1S/C15H21FN4O/c16-13-4-2-1-3-11(13)7-17-15(21)10-20-6-5-14-12(9-20)8-18-19-14/h1-4,12,14,18-19H,5-10H2,(H,17,21)
InChIKeyHBGWJZKMOAEMIR-UHFFFAOYSA-N
XLogP0.24
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-N-[(2-fluorophenyl)methyl]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

2-[(3S)-3-aminopyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 81492043
1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63031194
2-(4-benzylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 8539276
N-[(2-fluorophenyl)methyl]-2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide
CID 31313746
N-[(2-fluorophenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60672266
N-[(2-fluorophenyl)methyl]-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 55519648
1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 47707011
N-[(2-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 26553275
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 60504824
ethyl (3S)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylate
CID 8561943
N-[(2-fluorophenyl)methyl]-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115305042
N-[(2-fluorophenyl)methyl]-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
CID 134045272

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide (CID 75591031) is 2-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide is O=C(CN1CCC2NNCC2C1)NCc1ccccc1F.
What is the InChIKey of 2-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is HBGWJZKMOAEMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O/c16-13-4-2-1-3-11(13)7-17-15(21)10-20-6-5-14-12(9-20)8-18-19-14/h1-4,12,14,18-19H,5-10H2,(H,17,21).
What are the key properties of 2-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide?
2-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 292.36 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 75591031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).