(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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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).