N-[amino-(1-ethylpyrazol-3-yl)-oxo-λ6-sulfanylidene]-2-[3-(3-fluoro-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]acetamide

C20H21FN6O2S — CID 146613298

IUPACN-[amino-(1-ethylpyrazol-3-yl)-oxo-λ6-sulfanylidene]-2-[3-(3-fluoro-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]acetamide
SMILESCCn1ccc(S(N)(=O)=NC(=O)Cc2c(-c3ccncc3F)ncc3c2CCC3)n1
InChIInChI=1S/C20H21FN6O2S/c1-2-27-9-7-19(25-27)30(22,29)26-18(28)10-16-14-5-3-4-13(14)11-24-20(16)15-6-8-23-12-17(15)21/h6-9,11-12H,2-5,10H2,1H3,(H2,22,26,28,29)
InChIKeyCEHIZRKAMJNGSV-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.46
Rot. Bonds5

About N-[amino-(1-ethylpyrazol-3-yl)-oxo-λ6-sulfanylidene]-2-[3-(3-fluoro-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]acetamide

N-[amino-(1-ethylpyrazol-3-yl)-oxo-λ6-sulfanylidene]-2-[3-(3-fluoro-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]acetamide (PubChem CID 146613298) has the molecular formula C20H21FN6O2S and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[amino-(1-ethylpyrazol-3-yl)-oxo-λ6-sulfanylidene]-2-[3-(3-fluoro-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]acetamide.

Molecular Properties

Compound NameN-[amino-(1-ethylpyrazol-3-yl)-oxo-λ6-sulfanylidene]-2-[3-(3-fluoro-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]acetamide
PubChem CID146613298
Molecular FormulaC20H21FN6O2S
Molecular Weight428.49 g/mol
Exact Mass428.14
IUPAC NameN-[amino-(1-ethylpyrazol-3-yl)-oxo-λ6-sulfanylidene]-2-[3-(3-fluoro-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]acetamide
SMILESCCn1ccc(S(N)(=O)=NC(=O)Cc2c(-c3ccncc3F)ncc3c2CCC3)n1
InChIInChI=1S/C20H21FN6O2S/c1-2-27-9-7-19(25-27)30(22,29)26-18(28)10-16-14-5-3-4-13(14)11-24-20(16)15-6-8-23-12-17(15)21/h6-9,11-12H,2-5,10H2,1H3,(H2,22,26,28,29)
InChIKeyCEHIZRKAMJNGSV-UHFFFAOYSA-N
XLogP2.46
TPSA116.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[amino-(1-ethylpyrazol-3-yl)-oxo-λ6-sulfanylidene]-2-[3-(3-fluoro-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]acetamide with MolForge

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Related Compounds

US11530200, Example 2
CID 155463940
4-[2-(3-Fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-pentanoylbenzenesulfonamide
CID 21104422
N-tert-butylsulfonyl-5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71598814
N-tert-butylsulfonyl-5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 78127534
4-fluoro-5-[[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 134562137
N-[amino-oxo-(1-propan-2-ylpyrazol-3-yl)-lambda6-sulfanylidene]-2-[5-fluoro-2,4-di(propan-2-yl)-3-pyridinyl]acetamide
CID 137459103
N,N-diethyl-5-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 139392000
2-[2-(4-Fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]acetamide
CID 139983336
2-(Dimethylsulfamoyl)-4-fluoro-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 140661518
2-(Diethylsulfamoyl)-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 140661524
2-[Ethyl(methyl)sulfamoyl]-4-fluoro-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 140661533
2-[ethyl(methyl)sulfamoyl]-4-fluoro-5-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 140661542

Frequently Asked Questions

What is the IUPAC name of N-[amino-(1-ethylpyrazol-3-yl)-oxo-λ6-sulfanylidene]-2-[3-(3-fluoro-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]acetamide?
The IUPAC name of N-[amino-(1-ethylpyrazol-3-yl)-oxo-λ6-sulfanylidene]-2-[3-(3-fluoro-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]acetamide (CID 146613298) is N-[amino-(1-ethylpyrazol-3-yl)-oxo-λ6-sulfanylidene]-2-[3-(3-fluoro-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]acetamide.
What is the SMILES notation for N-[amino-(1-ethylpyrazol-3-yl)-oxo-λ6-sulfanylidene]-2-[3-(3-fluoro-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]acetamide?
The canonical SMILES for N-[amino-(1-ethylpyrazol-3-yl)-oxo-λ6-sulfanylidene]-2-[3-(3-fluoro-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]acetamide is CCn1ccc(S(N)(=O)=NC(=O)Cc2c(-c3ccncc3F)ncc3c2CCC3)n1.
What is the InChIKey of N-[amino-(1-ethylpyrazol-3-yl)-oxo-λ6-sulfanylidene]-2-[3-(3-fluoro-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]acetamide?
The InChIKey is CEHIZRKAMJNGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O2S/c1-2-27-9-7-19(25-27)30(22,29)26-18(28)10-16-14-5-3-4-13(14)11-24-20(16)15-6-8-23-12-17(15)21/h6-9,11-12H,2-5,10H2,1H3,(H2,22,26,28,29).
What are the key properties of N-[amino-(1-ethylpyrazol-3-yl)-oxo-λ6-sulfanylidene]-2-[3-(3-fluoro-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]acetamide?
N-[amino-(1-ethylpyrazol-3-yl)-oxo-λ6-sulfanylidene]-2-[3-(3-fluoro-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]acetamide has a molecular weight of 428.49 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-(1-ethylpyrazol-3-yl)-oxo-λ6-sulfanylidene]-2-[3-(3-fluoro-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]acetamide is sourced from PubChem (CID 146613298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).