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

C17H18F2N4O3 — CID 56758541

IUPACN-[1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-hydroxy-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(CO)C(=O)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1
InChIInChI=1S/C17H18F2N4O3/c1-9(25)20-15(8-24)17(26)23-5-4-14-11(7-23)16(22-21-14)10-2-3-12(18)13(19)6-10/h2-3,6,15,24H,4-5,7-8H2,1H3,(H,20,25)(H,21,22)
InChIKeyGIRJSHLHPYYITO-UHFFFAOYSA-N
MW364.35 g/mol
LogP0.74
Rot. Bonds4

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

N-[1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-hydroxy-1-oxopropan-2-yl]acetamide (PubChem CID 56758541) has the molecular formula C17H18F2N4O3 and a molecular weight of 364.35 g/mol. Its IUPAC name is N-[1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-hydroxy-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-hydroxy-1-oxopropan-2-yl]acetamide
PubChem CID56758541
Molecular FormulaC17H18F2N4O3
Molecular Weight364.35 g/mol
Exact Mass364.13
IUPAC NameN-[1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-hydroxy-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(CO)C(=O)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1
InChIInChI=1S/C17H18F2N4O3/c1-9(25)20-15(8-24)17(26)23-5-4-14-11(7-23)16(22-21-14)10-2-3-12(18)13(19)6-10/h2-3,6,15,24H,4-5,7-8H2,1H3,(H,20,25)(H,21,22)
InChIKeyGIRJSHLHPYYITO-UHFFFAOYSA-N
XLogP0.74
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-hydroxy-1-oxopropan-2-yl]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

(3R)-3-amino-4-(2,5-difluorophenyl)-1-{3-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}butan-1-one
CID 23645917
(2S,3S)-N-(4-(5-heptyl-1H-pyrazol-3-yl)benzyl)-3-hydroxypyrrolidine-2-carboxamide
CID 45254415
US11339151, Example 19
CID 156540514
N-(2-{3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidino}-2-oxoethyl)acetamide
CID 53185295
2-(dimethylamino)-1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-1-ethanone
CID 53185492
N'-{2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl}-N,N-dimethylurea
CID 56756785
2-(dimethylamino)-1-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 71819748
N-[2-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 71836811
(2S)-2-amino-1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-hydroxypropan-1-one
CID 76325128
N~1~-{2-oxo-2-[3-(3-phenyl-1H-pyrazol-5-yl)piperidino]ethyl}acetamide
CID 53185283
N~1~-[2-oxo-2-(3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]acetamide
CID 53185457
N-[2-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]acetamide
CID 53185504

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-hydroxy-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-hydroxy-1-oxopropan-2-yl]acetamide (CID 56758541) is N-[1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-hydroxy-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-hydroxy-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-hydroxy-1-oxopropan-2-yl]acetamide is CC(=O)NC(CO)C(=O)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1.
What is the InChIKey of N-[1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-hydroxy-1-oxopropan-2-yl]acetamide?
The InChIKey is GIRJSHLHPYYITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O3/c1-9(25)20-15(8-24)17(26)23-5-4-14-11(7-23)16(22-21-14)10-2-3-12(18)13(19)6-10/h2-3,6,15,24H,4-5,7-8H2,1H3,(H,20,25)(H,21,22).
What are the key properties of N-[1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-hydroxy-1-oxopropan-2-yl]acetamide?
N-[1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-hydroxy-1-oxopropan-2-yl]acetamide has a molecular weight of 364.35 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-hydroxy-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 56758541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).