3-ethyl-N-[2-fluoro-5-(methanesulfonamido)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide

C16H24FN5O3S — CID 133108313

IUPAC3-ethyl-N-[2-fluoro-5-(methanesulfonamido)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCCC1NNC2CCN(C(=O)Nc3cc(NS(C)(=O)=O)ccc3F)CC12
InChIInChI=1S/C16H24FN5O3S/c1-3-13-11-9-22(7-6-14(11)20-19-13)16(23)18-15-8-10(4-5-12(15)17)21-26(2,24)25/h4-5,8,11,13-14,19-21H,3,6-7,9H2,1-2H3,(H,18,23)
InChIKeyOOSOAEPXPQRQMV-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.31
Rot. Bonds4

About 3-ethyl-N-[2-fluoro-5-(methanesulfonamido)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide

3-ethyl-N-[2-fluoro-5-(methanesulfonamido)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 133108313) has the molecular formula C16H24FN5O3S and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-ethyl-N-[2-fluoro-5-(methanesulfonamido)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[2-fluoro-5-(methanesulfonamido)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID133108313
Molecular FormulaC16H24FN5O3S
Molecular Weight385.47 g/mol
Exact Mass385.16
IUPAC Name3-ethyl-N-[2-fluoro-5-(methanesulfonamido)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCCC1NNC2CCN(C(=O)Nc3cc(NS(C)(=O)=O)ccc3F)CC12
InChIInChI=1S/C16H24FN5O3S/c1-3-13-11-9-22(7-6-14(11)20-19-13)16(23)18-15-8-10(4-5-12(15)17)21-26(2,24)25/h4-5,8,11,13-14,19-21H,3,6-7,9H2,1-2H3,(H,18,23)
InChIKeyOOSOAEPXPQRQMV-UHFFFAOYSA-N
XLogP1.31
TPSA102.57 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-N-[2-fluoro-5-(methanesulfonamido)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide with MolForge

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Related Compounds

(3aR,4R,7S,7aS)-N-[2-fluoro-5-(methanesulfonamido)phenyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide
CID 74247635
(3aR,7aS)-N-[2-fluoro-5-(methanesulfonamido)phenyl]-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 74241927
1-[2-fluoro-5-(methanesulfonamido)phenyl]-3-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]urea
CID 125168777
(1R,2R,6S,7S)-N-(3-acetamido-4-fluorophenyl)-4-azatricyclo[5.2.1.02,6]decane-4-carboxamide
CID 72855276
(4aR,8aR)-N-(2-fluoro-5-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944857
N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223019
(5-ethyl-4-methylpyrazolidin-3-yl)-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 74778724
2-amino-2-ethyl-N-[4-fluoro-3-(methanesulfonamido)phenyl]butanamide
CID 79814001
N-[5-(methanesulfonamido)-2-methylphenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 72907416
(2S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 61178271
2,2,2-trifluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide
CID 62732998
ethyl N-[4-fluoro-3-(methanesulfonamido)phenyl]carbamate
CID 60728396

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-fluoro-5-(methanesulfonamido)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-ethyl-N-[2-fluoro-5-(methanesulfonamido)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 133108313) is 3-ethyl-N-[2-fluoro-5-(methanesulfonamido)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-[2-fluoro-5-(methanesulfonamido)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-ethyl-N-[2-fluoro-5-(methanesulfonamido)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide is CCC1NNC2CCN(C(=O)Nc3cc(NS(C)(=O)=O)ccc3F)CC12.
What is the InChIKey of 3-ethyl-N-[2-fluoro-5-(methanesulfonamido)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is OOSOAEPXPQRQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN5O3S/c1-3-13-11-9-22(7-6-14(11)20-19-13)16(23)18-15-8-10(4-5-12(15)17)21-26(2,24)25/h4-5,8,11,13-14,19-21H,3,6-7,9H2,1-2H3,(H,18,23).
What are the key properties of 3-ethyl-N-[2-fluoro-5-(methanesulfonamido)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide?
3-ethyl-N-[2-fluoro-5-(methanesulfonamido)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 1.31, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-fluoro-5-(methanesulfonamido)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 133108313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).