7-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]quinoxaline-6-carboxamide

C17H16FN5O2 — CID 154801586

IUPAC7-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]quinoxaline-6-carboxamide
SMILESO=C(NC[C@H]1CCO[C@@H]1c1cn[nH]c1)c1cc2nccnc2cc1F
InChIInChI=1S/C17H16FN5O2/c18-13-6-15-14(19-2-3-20-15)5-12(13)17(24)21-7-10-1-4-25-16(10)11-8-22-23-9-11/h2-3,5-6,8-10,16H,1,4,7H2,(H,21,24)(H,22,23)/t10-,16+/m1/s1
InChIKeyJSZRAXBQDRCESZ-HWPZZCPQSA-N
MW341.35 g/mol
LogP2.00
Rot. Bonds4

About 7-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]quinoxaline-6-carboxamide

7-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]quinoxaline-6-carboxamide (PubChem CID 154801586) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is 7-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]quinoxaline-6-carboxamide
PubChem CID154801586
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name7-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]quinoxaline-6-carboxamide
SMILESO=C(NC[C@H]1CCO[C@@H]1c1cn[nH]c1)c1cc2nccnc2cc1F
InChIInChI=1S/C17H16FN5O2/c18-13-6-15-14(19-2-3-20-15)5-12(13)17(24)21-7-10-1-4-25-16(10)11-8-22-23-9-11/h2-3,5-6,8-10,16H,1,4,7H2,(H,21,24)(H,22,23)/t10-,16+/m1/s1
InChIKeyJSZRAXBQDRCESZ-HWPZZCPQSA-N
XLogP2.00
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]quinoxaline-6-carboxamide with MolForge

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Related Compounds

3-bromo-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyridine-4-carboxamide
CID 154799222
3-fluoro-4-methoxy-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]benzamide
CID 154798360
5-fluoro-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]-1,3-benzodioxole-4-carboxamide
CID 136586669
4-cyclopropyl-2-methyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrimidine-5-carboxamide
CID 166246892
2-ethyl-1-methyl-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrrole-3-carboxamide
CID 167843966
4,5-dimethyl-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 154762252
3-bromo-1-methyl-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrazole-5-carboxamide
CID 154762230
3-fluoro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyridine-4-carboxamide
CID 129002144
5,7-dimethyl-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 154762232
3-methoxy-4-methyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]benzamide
CID 154794885
N-[(4-chloro-2-methylphenyl)methyl]-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine
CID 154761589
N-[(2-fluoro-3-methylphenyl)methyl]-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine
CID 167790675

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]quinoxaline-6-carboxamide?
The IUPAC name of 7-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]quinoxaline-6-carboxamide (CID 154801586) is 7-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]quinoxaline-6-carboxamide.
What is the SMILES notation for 7-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]quinoxaline-6-carboxamide?
The canonical SMILES for 7-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]quinoxaline-6-carboxamide is O=C(NC[C@H]1CCO[C@@H]1c1cn[nH]c1)c1cc2nccnc2cc1F.
What is the InChIKey of 7-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]quinoxaline-6-carboxamide?
The InChIKey is JSZRAXBQDRCESZ-HWPZZCPQSA-N. The full InChI is InChI=1S/C17H16FN5O2/c18-13-6-15-14(19-2-3-20-15)5-12(13)17(24)21-7-10-1-4-25-16(10)11-8-22-23-9-11/h2-3,5-6,8-10,16H,1,4,7H2,(H,21,24)(H,22,23)/t10-,16+/m1/s1.
What are the key properties of 7-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]quinoxaline-6-carboxamide?
7-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]quinoxaline-6-carboxamide has a molecular weight of 341.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 154801586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).