[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone

C24H20F2N4O4S — CID 30702624

IUPAC[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
SMILESCc1noc2nc(-c3ccccc3)cc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)c12
InChIInChI=1S/C24H20F2N4O4S/c1-15-22-18(14-20(27-23(22)34-28-15)16-5-3-2-4-6-16)24(31)29-9-11-30(12-10-29)35(32,33)21-8-7-17(25)13-19(21)26/h2-8,13-14H,9-12H2,1H3
InChIKeyXGNHGHYDHPCQBI-UHFFFAOYSA-N
MW498.51 g/mol
LogP3.62
Rot. Bonds4

About [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone

[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone (PubChem CID 30702624) has the molecular formula C24H20F2N4O4S and a molecular weight of 498.51 g/mol. Its IUPAC name is [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone.

Molecular Properties

Compound Name[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
PubChem CID30702624
Molecular FormulaC24H20F2N4O4S
Molecular Weight498.51 g/mol
Exact Mass498.12
IUPAC Name[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
SMILESCc1noc2nc(-c3ccccc3)cc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)c12
InChIInChI=1S/C24H20F2N4O4S/c1-15-22-18(14-20(27-23(22)34-28-15)16-5-3-2-4-6-16)24(31)29-9-11-30(12-10-29)35(32,33)21-8-7-17(25)13-19(21)26/h2-8,13-14H,9-12H2,1H3
InChIKeyXGNHGHYDHPCQBI-UHFFFAOYSA-N
XLogP3.62
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.51
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 38033394
ethyl 4-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazine-1-carboxylate
CID 45493259
(4-benzylpiperazin-1-yl)-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 30697310
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 26814306
(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 112808020
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 112836515
[4-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 38031219
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 38377787
[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 86905236
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone
CID 17455845
(2-cyclopropylquinolin-4-yl)-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 31425869
(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 24644677

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
The IUPAC name of [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone (CID 30702624) is [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone.
What is the SMILES notation for [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
The canonical SMILES for [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone is Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)c12.
What is the InChIKey of [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
The InChIKey is XGNHGHYDHPCQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O4S/c1-15-22-18(14-20(27-23(22)34-28-15)16-5-3-2-4-6-16)24(31)29-9-11-30(12-10-29)35(32,33)21-8-7-17(25)13-19(21)26/h2-8,13-14H,9-12H2,1H3.
What are the key properties of [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone has a molecular weight of 498.51 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone is sourced from PubChem (CID 30702624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).