(2-fluorophenyl)-(3-quinoxalin-6-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone

C22H15FN4OS — CID 17497974

IUPAC(2-fluorophenyl)-(3-quinoxalin-6-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone
SMILESO=C(c1ccccc1F)N1N=C(c2cccs2)CC1c1ccc2nccnc2c1
InChIInChI=1S/C22H15FN4OS/c23-16-5-2-1-4-15(16)22(28)27-20(13-19(26-27)21-6-3-11-29-21)14-7-8-17-18(12-14)25-10-9-24-17/h1-12,20H,13H2
InChIKeyMYNGWYUUWGILQE-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.82
Rot. Bonds3

About (2-fluorophenyl)-(3-quinoxalin-6-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone

(2-fluorophenyl)-(3-quinoxalin-6-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone (PubChem CID 17497974) has the molecular formula C22H15FN4OS and a molecular weight of 402.45 g/mol. Its IUPAC name is (2-fluorophenyl)-(3-quinoxalin-6-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(3-quinoxalin-6-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone
PubChem CID17497974
Molecular FormulaC22H15FN4OS
Molecular Weight402.45 g/mol
Exact Mass402.10
IUPAC Name(2-fluorophenyl)-(3-quinoxalin-6-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone
SMILESO=C(c1ccccc1F)N1N=C(c2cccs2)CC1c1ccc2nccnc2c1
InChIInChI=1S/C22H15FN4OS/c23-16-5-2-1-4-15(16)22(28)27-20(13-19(26-27)21-6-3-11-29-21)14-7-8-17-18(12-14)25-10-9-24-17/h1-12,20H,13H2
InChIKeyMYNGWYUUWGILQE-UHFFFAOYSA-N
XLogP4.82
TPSA58.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-amino-5-(thiophen-2-yl)phenyl]quinoxaline-6-carboxamide
CID 11393847
Thiophene derivative, 3i
CID 24857909
1,2-Dimethyl-5-quinoxalin-6-yl-4-thiophen-3-yl-1,2-dihydro-pyrazol-3-one
CID 16730258
1,2-Dimethyl-5-quinoxalin-6-yl-4-thiophen-2-yl-1,2-dihydro-pyrazol-3-one
CID 16730419
1,2-dimethyl-4-(3-(methylthio)phenyl)-5-(quinoxalin-6-yl)-1H-pyrazol-3(2H)-one
CID 16731074
2,2,2-Trifluoro-1-[5-(quinoxalin-6-yl)thiophen-2-yl]ethanone
CID 44543405
(3-Phenyl-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl)-(5-pyridin-2-ylthiophen-2-yl)methanone
CID 54583878
Hdac1/2-IN-3
CID 130319550
Piperidin-1-yl-[3-(1,3-thiazol-2-yl)quinoxalin-6-yl]methanone
CID 135300402
N-(quinolin-8-yl)thiophene-2-carboxamide
CID 683655
N-[(thiophen-2-yl)methyl]quinoxaline-6-carboxamide
CID 736232
N-[3-(quinolin-3-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 25343670

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(3-quinoxalin-6-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(3-quinoxalin-6-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone (CID 17497974) is (2-fluorophenyl)-(3-quinoxalin-6-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(3-quinoxalin-6-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(3-quinoxalin-6-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone is O=C(c1ccccc1F)N1N=C(c2cccs2)CC1c1ccc2nccnc2c1.
What is the InChIKey of (2-fluorophenyl)-(3-quinoxalin-6-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone?
The InChIKey is MYNGWYUUWGILQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4OS/c23-16-5-2-1-4-15(16)22(28)27-20(13-19(26-27)21-6-3-11-29-21)14-7-8-17-18(12-14)25-10-9-24-17/h1-12,20H,13H2.
What are the key properties of (2-fluorophenyl)-(3-quinoxalin-6-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone?
(2-fluorophenyl)-(3-quinoxalin-6-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone has a molecular weight of 402.45 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(3-quinoxalin-6-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone is sourced from PubChem (CID 17497974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).