1-[(2S)-2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]pyrrolidin-1-yl]ethanone

C19H20F2N4O2 — CID 42518368

IUPAC1-[(2S)-2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H]1C(=O)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1
InChIInChI=1S/C19H20F2N4O2/c1-11(26)25-7-2-3-17(25)19(27)24-8-6-16-13(10-24)18(23-22-16)12-4-5-14(20)15(21)9-12/h4-5,9,17H,2-3,6-8,10H2,1H3,(H,22,23)/t17-/m0/s1
InChIKeyZRTWHJUBNFJYQX-KRWDZBQOSA-N
MW374.39 g/mol
LogP2.25
Rot. Bonds2

About 1-[(2S)-2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]pyrrolidin-1-yl]ethanone

1-[(2S)-2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]pyrrolidin-1-yl]ethanone (PubChem CID 42518368) has the molecular formula C19H20F2N4O2 and a molecular weight of 374.39 g/mol. Its IUPAC name is 1-[(2S)-2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]pyrrolidin-1-yl]ethanone
PubChem CID42518368
Molecular FormulaC19H20F2N4O2
Molecular Weight374.39 g/mol
Exact Mass374.16
IUPAC Name1-[(2S)-2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H]1C(=O)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1
InChIInChI=1S/C19H20F2N4O2/c1-11(26)25-7-2-3-17(25)19(27)24-8-6-16-13(10-24)18(23-22-16)12-4-5-14(20)15(21)9-12/h4-5,9,17H,2-3,6-8,10H2,1H3,(H,22,23)/t17-/m0/s1
InChIKeyZRTWHJUBNFJYQX-KRWDZBQOSA-N
XLogP2.25
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]pyrrolidin-1-yl]ethanone 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

[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(2R)-1-methylpiperidin-2-yl]methanone
CID 25285988
[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3S)-3-methylpiperidin-3-yl]methanone
CID 95201626
[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone
CID 56758757
4-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 56759112
2-[(2S)-1-acetylpyrrolidine-2-carbonyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 166317438
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-fluorophenyl)methanone
CID 108726007
[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-3-pyridinyl)methanone
CID 46989048
3-[5-(cyclopropanecarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzonitrile
CID 144552578
N-[2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethyl]benzamide
CID 56753411
N-[1-[(2,6-dimethylphenyl)methyl]piperidin-3-yl]-3-(3-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 56941200
4,6-difluoro-2,3-dihydro-1H-inden-2-ol;1-[3-[3-(trifluoromethoxy)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 144552471
1-[(2R)-2-[4-[(3-fluorophenyl)methylidene]piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 94518651

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]pyrrolidin-1-yl]ethanone (CID 42518368) is 1-[(2S)-2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@H]1C(=O)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1.
What is the InChIKey of 1-[(2S)-2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]pyrrolidin-1-yl]ethanone?
The InChIKey is ZRTWHJUBNFJYQX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20F2N4O2/c1-11(26)25-7-2-3-17(25)19(27)24-8-6-16-13(10-24)18(23-22-16)12-4-5-14(20)15(21)9-12/h4-5,9,17H,2-3,6-8,10H2,1H3,(H,22,23)/t17-/m0/s1.
What are the key properties of 1-[(2S)-2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]pyrrolidin-1-yl]ethanone?
1-[(2S)-2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]pyrrolidin-1-yl]ethanone has a molecular weight of 374.39 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 42518368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).