7-fluoro-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide

C24H18FN5OS — CID 112844916

IUPAC7-fluoro-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)c1cc(F)cc2nccnc12
InChIInChI=1S/C24H18FN5OS/c1-29(24(31)19-12-17(25)13-20-23(19)27-10-9-26-20)14-16-15-30(18-6-3-2-4-7-18)28-22(16)21-8-5-11-32-21/h2-13,15H,14H2,1H3
InChIKeyKPOVGNIFWXUXKV-UHFFFAOYSA-N
MW443.51 g/mol
LogP4.96
Rot. Bonds5

About 7-fluoro-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide

7-fluoro-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide (PubChem CID 112844916) has the molecular formula C24H18FN5OS and a molecular weight of 443.51 g/mol. Its IUPAC name is 7-fluoro-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide
PubChem CID112844916
Molecular FormulaC24H18FN5OS
Molecular Weight443.51 g/mol
Exact Mass443.12
IUPAC Name7-fluoro-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)c1cc(F)cc2nccnc12
InChIInChI=1S/C24H18FN5OS/c1-29(24(31)19-12-17(25)13-20-23(19)27-10-9-26-20)14-16-15-30(18-6-3-2-4-7-18)28-22(16)21-8-5-11-32-21/h2-13,15H,14H2,1H3
InChIKeyKPOVGNIFWXUXKV-UHFFFAOYSA-N
XLogP4.96
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 112844915
N-methyl-6-oxo-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide
CID 39948564
N,2-dimethyl-3-(methylamino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]propanamide;hydrochloride
CID 119689520
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 18226295
N-ethyl-N,1-diphenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2308237
4-[benzyl-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]amino]-4-oxobutanoate
CID 2121570
methyl 5-[(1,3-diphenylpyrazol-4-yl)methyl-methylcarbamoyl]thiophene-2-carboxylate
CID 35187589
N-[3-(dimethylamino)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2333924
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-fluoro-N-methylbenzamide
CID 18209870
7-fluoro-N,2,3-trimethyl-N-[(1-phenylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide
CID 55823560
2,4-dimethoxy-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]benzamide
CID 142893891
N-(4-fluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 8745127

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide?
The IUPAC name of 7-fluoro-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide (CID 112844916) is 7-fluoro-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide.
What is the SMILES notation for 7-fluoro-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide?
The canonical SMILES for 7-fluoro-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide is CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)c1cc(F)cc2nccnc12.
What is the InChIKey of 7-fluoro-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide?
The InChIKey is KPOVGNIFWXUXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5OS/c1-29(24(31)19-12-17(25)13-20-23(19)27-10-9-26-20)14-16-15-30(18-6-3-2-4-7-18)28-22(16)21-8-5-11-32-21/h2-13,15H,14H2,1H3.
What are the key properties of 7-fluoro-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide?
7-fluoro-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide is sourced from PubChem (CID 112844916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).